2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide

C80H74ClF14N12O4P — CID 159179859

About 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide

2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide (PubChem CID 159179859) has the molecular formula C80H74ClF14N12O4P and a molecular weight of 1599.95 g/mol. Its IUPAC name is 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide
• PubChem CID: 159179859
• Molecular Formula: C80H74ClF14N12O4P
• Molecular Weight: 1599.95 g/mol
• Exact Mass: 1598.52
• IUPAC Name: 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide
• SMILES: COc1ccc(OC)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1c(N(C)C)cccc1N(C)C.Cc1nccc(Cl)n1.Cc1nccc(N2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1.O=C(NC1(c2ccc3c(n2)CCCN3)CC1)c1ccc(F)cc1
• InChI: InChI=1S/C34H29F12N2O2P.C23H22FN5O.C18H18FN3O.C5H5ClN2/c1-47(2)24-8-7-9-25(48(3)4)28(24)29-26(49-5)10-11-27(50-6)30(29)51(22-14-18(31(35,36)37)12-19(15-22)32(38,39)40)23-16-20(33(41,42)43)13-21(17-23)34(44,45)46;1-15-25-13-10-21(26-15)29-14-2-3-18-19(29)8-9-20(27-18)23(11-12-23)28-22(30)16-4-6-17(24)7-5-16;19-13-5-3-12(4-6-13)17(23)22-18(9-10-18)16-8-7-14-15(21-16)2-1-11-20-14;1-4-7-3-2-5(6)8-4/h7-17H,1-6H3;4-10,13H,2-3,11-12,14H2,1H3,(H,28,30);3-8,20H,1-2,9-11H2,(H,22,23);2-3H,1H3
• InChIKey: KMTBYTIJFUXJRS-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 175.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.95
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide?

The IUPAC name of 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide (CID 159179859) is 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide.

What is the SMILES notation for 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide?

The canonical SMILES for 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide is COc1ccc(OC)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1c(N(C)C)cccc1N(C)C.Cc1nccc(Cl)n1.Cc1nccc(N2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1.O=C(NC1(c2ccc3c(n2)CCCN3)CC1)c1ccc(F)cc1.

What is the InChIKey of 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide?

The InChIKey is KMTBYTIJFUXJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F12N2O2P.C23H22FN5O.C18H18FN3O.C5H5ClN2/c1-47(2)24-8-7-9-25(48(3)4)28(24)29-26(49-5)10-11-27(50-6)30(29)51(22-14-18(31(35,36)37)12-19(15-22)32(38,39)40)23-16-20(33(41,42)43)13-21(17-23)34(44,45)46;1-15-25-13-10-21(26-15)29-14-2-3-18-19(29)8-9-20(27-18)23(11-12-23)28-22(30)16-4-6-17(24)7-5-16;19-13-5-3-12(4-6-13)17(23)22-18(9-10-18)16-8-7-14-15(21-16)2-1-11-20-14;1-4-7-3-2-5(6)8-4/h7-17H,1-6H3;4-10,13H,2-3,11-12,14H2,1H3,(H,28,30);3-8,20H,1-2,9-11H2,(H,22,23);2-3H,1H3.

What are the key properties of 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide?

2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide has a molecular weight of 1599.95 g/mol, XLogP of 17.60, 15 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-3,6-dimethoxyphenyl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;4-chloro-2-methylpyrimidine;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide;4-fluoro-N-[1-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 159179859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).