3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide

C124H156Cl6F10N24O10 — CID 167574166

About 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide

3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide (PubChem CID 167574166) has the molecular formula C124H156Cl6F10N24O10 and a molecular weight of 2545.47 g/mol. Its IUPAC name is 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide
• PubChem CID: 167574166
• Molecular Formula: C124H156Cl6F10N24O10
• Molecular Weight: 2545.47 g/mol
• Exact Mass: 2541.04
• IUPAC Name: 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide
• SMILES: CN(C)[C@H](CNC(=O)CC(c1cncnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)CC(c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)c1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1
• InChI: InChI=1S/C26H35ClF2N6O2.2C25H31ClF2N4O2.C24H29Cl2F2N5O2.C24H30ClF2N5O2/c1-25(28,29)26(8-9-26)20(18-13-32-24(33-14-18)35(4)5)12-22(36)31-15-19(34(2)3)10-16-6-7-17(23(30)37)11-21(16)27;2*1-24(27,28)25(8-9-25)20(18-5-4-10-30-14-18)13-22(33)31-15-19(32(2)3)11-16-6-7-17(23(29)34)12-21(16)26;1-23(27,28)24(6-7-24)18(22-31-11-16(25)12-32-22)10-20(34)30-13-17(33(2)3)8-14-4-5-15(21(29)35)9-19(14)26;1-23(26,27)24(6-7-24)19(17-11-29-14-30-12-17)10-21(33)31-13-18(32(2)3)8-15-4-5-16(22(28)34)9-20(15)25/h6-7,11,13-14,19-20H,8-10,12,15H2,1-5H3,(H2,30,37)(H,31,36);2*4-7,10,12,14,19-20H,8-9,11,13,15H2,1-3H3,(H2,29,34)(H,31,33);4-5,9,11-12,17-18H,6-8,10,13H2,1-3H3,(H2,29,35)(H,30,34);4-5,9,11-12,14,18-19H,6-8,10,13H2,1-3H3,(H2,28,34)(H,31,33)/t19-,20?;19-,20+;19-,20-;17-,18?;18-,19?/m00000/s1
• InChIKey: GHOYTBSSJQBCQO-MWPLOUJGSA-N
• XLogP: 19.06
• TPSA: 483.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 56
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2545.47
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide?

The IUPAC name of 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide (CID 167574166) is 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide.

What is the SMILES notation for 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide?

The canonical SMILES for 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide is CN(C)[C@H](CNC(=O)CC(c1cncnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)CC(c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)c1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.

What is the InChIKey of 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide?

The InChIKey is GHOYTBSSJQBCQO-MWPLOUJGSA-N. The full InChI is InChI=1S/C26H35ClF2N6O2.2C25H31ClF2N4O2.C24H29Cl2F2N5O2.C24H30ClF2N5O2/c1-25(28,29)26(8-9-26)20(18-13-32-24(33-14-18)35(4)5)12-22(36)31-15-19(34(2)3)10-16-6-7-17(23(30)37)11-21(16)27;2*1-24(27,28)25(8-9-25)20(18-5-4-10-30-14-18)13-22(33)31-15-19(32(2)3)11-16-6-7-17(23(29)34)12-21(16)26;1-23(27,28)24(6-7-24)18(22-31-11-16(25)12-32-22)10-20(34)30-13-17(33(2)3)8-14-4-5-15(21(29)35)9-19(14)26;1-23(26,27)24(6-7-24)19(17-11-29-14-30-12-17)10-21(33)31-13-18(32(2)3)8-15-4-5-16(22(28)34)9-20(15)25/h6-7,11,13-14,19-20H,8-10,12,15H2,1-5H3,(H2,30,37)(H,31,36);2*4-7,10,12,14,19-20H,8-9,11,13,15H2,1-3H3,(H2,29,34)(H,31,33);4-5,9,11-12,17-18H,6-8,10,13H2,1-3H3,(H2,29,35)(H,30,34);4-5,9,11-12,14,18-19H,6-8,10,13H2,1-3H3,(H2,28,34)(H,31,33)/t19-,20?;19-,20+;19-,20-;17-,18?;18-,19?/m00000/s1.

What are the key properties of 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide?

3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide has a molecular weight of 2545.47 g/mol, XLogP of 19.06, 56 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[2-(dimethylamino)pyrimidin-5-yl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyrimidin-5-ylpropanoyl]amino]-2-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 167574166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).