1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide

C21H21ClF3NO2 — CID 56765467

IUPAC1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H21ClF3NO2/c22-17-9-7-15(8-10-17)20(11-1-2-12-20)19(28)26-13-18(27)14-3-5-16(6-4-14)21(23,24)25/h3-10,18,27H,1-2,11-13H2,(H,26,28)
InChIKeyKTWLDWNTNXPOPC-UHFFFAOYSA-N
MW411.85 g/mol
LogP5.02
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide (PubChem CID 56765467) has the molecular formula C21H21ClF3NO2 and a molecular weight of 411.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
PubChem CID56765467
Molecular FormulaC21H21ClF3NO2
Molecular Weight411.85 g/mol
Exact Mass411.12
IUPAC Name1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H21ClF3NO2/c22-17-9-7-15(8-10-17)20(11-1-2-12-20)19(28)26-13-18(27)14-3-5-16(6-4-14)21(23,24)25/h3-10,18,27H,1-2,11-13H2,(H,26,28)
InChIKeyKTWLDWNTNXPOPC-UHFFFAOYSA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.85
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide (CID 56765467) is 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is KTWLDWNTNXPOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3NO2/c22-17-9-7-15(8-10-17)20(11-1-2-12-20)19(28)26-13-18(27)14-3-5-16(6-4-14)21(23,24)25/h3-10,18,27H,1-2,11-13H2,(H,26,28).
What are the key properties of 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 411.85 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56765467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).