N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide

C19H17ClF3NO — CID 4135962

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H17ClF3NO/c20-14-8-9-16(15(12-14)19(21,22)23)24-17(25)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,24,25)
InChIKeyPQNUZWMGGIRMQW-UHFFFAOYSA-N
MW367.80 g/mol
LogP5.81
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 4135962) has the molecular formula C19H17ClF3NO and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID4135962
Molecular FormulaC19H17ClF3NO
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H17ClF3NO/c20-14-8-9-16(15(12-14)19(21,22)23)24-17(25)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,24,25)
InChIKeyPQNUZWMGGIRMQW-UHFFFAOYSA-N
XLogP5.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108979418
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303
1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970756
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide (CID 4135962) is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is PQNUZWMGGIRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO/c20-14-8-9-16(15(12-14)19(21,22)23)24-17(25)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,24,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 4135962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).