N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide

C18H17F2NO — CID 4646133

IUPACN-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H17F2NO/c19-15-9-8-14(12-16(15)20)21-17(22)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,21,22)
InChIKeyDFUIMSUUSLAWKC-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.42
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide

N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 4646133) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID4646133
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H17F2NO/c19-15-9-8-14(12-16(15)20)21-17(22)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,21,22)
InChIKeyDFUIMSUUSLAWKC-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 115661448
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
CID 52534682
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide (CID 4646133) is N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is DFUIMSUUSLAWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c19-15-9-8-14(12-16(15)20)21-17(22)18(10-4-5-11-18)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide?
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 4646133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).