1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide

C25H27ClF4N2O2 — CID 134134923

IUPAC1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H27ClF4N2O2/c26-19-5-3-18(4-6-19)23(9-10-23)22(33)31-16-21(15-17-1-7-20(27)8-2-17)32-13-11-24(34,12-14-32)25(28,29)30/h1-8,21,34H,9-16H2,(H,31,33)
InChIKeyZGUQIIBJOCXMDV-UHFFFAOYSA-N
MW498.95 g/mol
LogP4.63
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide (PubChem CID 134134923) has the molecular formula C25H27ClF4N2O2 and a molecular weight of 498.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
PubChem CID134134923
Molecular FormulaC25H27ClF4N2O2
Molecular Weight498.95 g/mol
Exact Mass498.17
IUPAC Name1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
SMILESO=C(NCC(Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H27ClF4N2O2/c26-19-5-3-18(4-6-19)23(9-10-23)22(33)31-16-21(15-17-1-7-20(27)8-2-17)32-13-11-24(34,12-14-32)25(28,29)30/h1-8,21,34H,9-16H2,(H,31,33)
InChIKeyZGUQIIBJOCXMDV-UHFFFAOYSA-N
XLogP4.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide
CID 145072009
N-[(2R)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-methylphenyl)cyclobutane-1-carboxamide
CID 162575597
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937
1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 95368233
1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134003398
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
CID 65219700
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 124863158
1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 30806810
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 115594402

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide (CID 134134923) is 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide is O=C(NCC(Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
The InChIKey is ZGUQIIBJOCXMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF4N2O2/c26-19-5-3-18(4-6-19)23(9-10-23)22(33)31-16-21(15-17-1-7-20(27)8-2-17)32-13-11-24(34,12-14-32)25(28,29)30/h1-8,21,34H,9-16H2,(H,31,33).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide has a molecular weight of 498.95 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134134923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).