N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide

C68H52Cl2F18N4O6 — CID 123655255

About N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 123655255) has the molecular formula C68H52Cl2F18N4O6 and a molecular weight of 1434.06 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
• PubChem CID: 123655255
• Molecular Formula: C68H52Cl2F18N4O6
• Molecular Weight: 1434.06 g/mol
• Exact Mass: 1432.30
• IUPAC Name: N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
• SMILES: CC(=O)CCCc1cccc(C[C@](NC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)c1.CC(=O)CCCc1ccccc1C[C@](NC(=O)c1ccc(F)c(C(F)(F)F)c1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1
• InChI: InChI=1S/2C34H26ClF9N2O3/c1-19(47)4-2-5-20-6-3-7-21(12-20)17-32(29-11-9-24(35)18-45-29,23-14-25(36)16-26(15-23)49-34(43,44)31(38)39)46-30(48)22-8-10-28(37)27(13-22)33(40,41)42;1-19(47)5-4-8-20-6-2-3-7-22(20)17-32(29-12-10-24(35)18-45-29,23-14-25(36)16-26(15-23)49-34(43,44)31(38)39)46-30(48)21-9-11-28(37)27(13-21)33(40,41)42/h3,6-16,18,31H,2,4-5,17H2,1H3,(H,46,48);2-3,6-7,9-16,18,31H,4-5,8,17H2,1H3,(H,46,48)/t2*32-/m00/s1
• InChIKey: AKZDZIODUVESEC-RGTYOGSSSA-N
• XLogP: 18.19
• TPSA: 136.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1434.06
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 123655255) is N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide is CC(=O)CCCc1cccc(C[C@](NC(=O)c2ccc(F)c(C(F)(F)F)c2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)c1.CC(=O)CCCc1ccccc1C[C@](NC(=O)c1ccc(F)c(C(F)(F)F)c1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1.

What is the InChIKey of N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?

The InChIKey is AKZDZIODUVESEC-RGTYOGSSSA-N. The full InChI is InChI=1S/2C34H26ClF9N2O3/c1-19(47)4-2-5-20-6-3-7-21(12-20)17-32(29-11-9-24(35)18-45-29,23-14-25(36)16-26(15-23)49-34(43,44)31(38)39)46-30(48)22-8-10-28(37)27(13-22)33(40,41)42;1-19(47)5-4-8-20-6-2-3-7-22(20)17-32(29-12-10-24(35)18-45-29,23-14-25(36)16-26(15-23)49-34(43,44)31(38)39)46-30(48)21-9-11-28(37)27(13-21)33(40,41)42/h3,6-16,18,31H,2,4-5,17H2,1H3,(H,46,48);2-3,6-7,9-16,18,31H,4-5,8,17H2,1H3,(H,46,48)/t2*32-/m00/s1.

What are the key properties of N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?

N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 1434.06 g/mol, XLogP of 18.19, 26 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[2-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-[3-(4-oxopentyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123655255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).