4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide

C70H76Cl2F10N8O8 — CID 90699601

IUPAC4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide
SMILESCC(=O)CCCCCNC(=O)C1CCC(NC(=O)N[C@@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)CC1.CC(=O)CCCNC(=O)C1CCC(NC(=O)N[C@@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C36H40ClF5N4O4.C34H36ClF5N4O4/c1-23(47)8-4-3-7-17-43-32(48)25-11-14-29(15-12-25)45-34(49)46-35(21-24-9-5-2-6-10-24,31-16-13-27(37)22-44-31)26-18-28(38)20-30(19-26)50-36(41,42)33(39)40;1-21(45)6-5-15-41-30(46)23-9-12-27(13-10-23)43-32(47)44-33(19-22-7-3-2-4-8-22,29-14-11-25(35)20-42-29)24-16-26(36)18-28(17-24)48-34(39,40)31(37)38/h2,5-6,9-10,13,16,18-20,22,25,29,33H,3-4,7-8,11-12,14-15,17,21H2,1H3,(H,43,48)(H2,45,46,49);2-4,7-8,11,14,16-18,20,23,27,31H,5-6,9-10,12-13,15,19H2,1H3,(H,41,46)(H2,43,44,47)/t25?,29?,35-;23?,27?,33-/m00/s1
InChIKeyBARJLUJBCXQRGX-JXEKXOFGSA-N
MW1418.31 g/mol
LogP14.66
Rot. Bonds30

About 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide

4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide (PubChem CID 90699601) has the molecular formula C70H76Cl2F10N8O8 and a molecular weight of 1418.31 g/mol. Its IUPAC name is 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide
PubChem CID90699601
Molecular FormulaC70H76Cl2F10N8O8
Molecular Weight1418.31 g/mol
Exact Mass1416.50
IUPAC Name4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide
SMILESCC(=O)CCCCCNC(=O)C1CCC(NC(=O)N[C@@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)CC1.CC(=O)CCCNC(=O)C1CCC(NC(=O)N[C@@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C36H40ClF5N4O4.C34H36ClF5N4O4/c1-23(47)8-4-3-7-17-43-32(48)25-11-14-29(15-12-25)45-34(49)46-35(21-24-9-5-2-6-10-24,31-16-13-27(37)22-44-31)26-18-28(38)20-30(19-26)50-36(41,42)33(39)40;1-21(45)6-5-15-41-30(46)23-9-12-27(13-10-23)43-32(47)44-33(19-22-7-3-2-4-8-22,29-14-11-25(35)20-42-29)24-16-26(36)18-28(17-24)48-34(39,40)31(37)38/h2,5-6,9-10,13,16,18-20,22,25,29,33H,3-4,7-8,11-12,14-15,17,21H2,1H3,(H,43,48)(H2,45,46,49);2-4,7-8,11,14,16-18,20,23,27,31H,5-6,9-10,12-13,15,19H2,1H3,(H,41,46)(H2,43,44,47)/t25?,29?,35-;23?,27?,33-/m00/s1
InChIKeyBARJLUJBCXQRGX-JXEKXOFGSA-N
XLogP14.66
TPSA218.84 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.31
LogP ≤ 514.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[(1R)-3,3-difluorocyclopentyl]urea
CID 58920163
1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 16739908
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-cyclopentylurea
CID 16739953
1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-(3,3-difluorocyclopentyl)urea
CID 58920320
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-(2,2,3,3,3-pentafluoropropyl)urea
CID 58920709
1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-[(1S)-3,3-difluorocyclopentyl]urea
CID 58920741
1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-(3,3-difluorocyclobutyl)urea
CID 58920757
1-[1-(5-Chloropyridin-2-yl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-cyclopentylurea
CID 58920821
1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 58921056
1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-(2,2-difluorocyclopropyl)urea
CID 58921618
1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-ethylurea
CID 71451229
1-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-propylurea
CID 71453045

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide (CID 90699601) is 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide is CC(=O)CCCCCNC(=O)C1CCC(NC(=O)N[C@@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)CC1.CC(=O)CCCNC(=O)C1CCC(NC(=O)N[C@@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide?
The InChIKey is BARJLUJBCXQRGX-JXEKXOFGSA-N. The full InChI is InChI=1S/C36H40ClF5N4O4.C34H36ClF5N4O4/c1-23(47)8-4-3-7-17-43-32(48)25-11-14-29(15-12-25)45-34(49)46-35(21-24-9-5-2-6-10-24,31-16-13-27(37)22-44-31)26-18-28(38)20-30(19-26)50-36(41,42)33(39)40;1-21(45)6-5-15-41-30(46)23-9-12-27(13-10-23)43-32(47)44-33(19-22-7-3-2-4-8-22,29-14-11-25(35)20-42-29)24-16-26(36)18-28(17-24)48-34(39,40)31(37)38/h2,5-6,9-10,13,16,18-20,22,25,29,33H,3-4,7-8,11-12,14-15,17,21H2,1H3,(H,43,48)(H2,45,46,49);2-4,7-8,11,14,16-18,20,23,27,31H,5-6,9-10,12-13,15,19H2,1H3,(H,41,46)(H2,43,44,47)/t25?,29?,35-;23?,27?,33-/m00/s1.
What are the key properties of 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide?
4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide has a molecular weight of 1418.31 g/mol, XLogP of 14.66, 30 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(6-oxoheptyl)cyclohexane-1-carboxamide;4-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]carbamoylamino]-N-(4-oxopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 90699601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).