1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide

C17H15ClFNO — CID 31779380

IUPAC1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H15ClFNO/c18-13-5-1-4-12(10-13)17(8-3-9-17)16(21)20-15-7-2-6-14(19)11-15/h1-2,4-7,10-11H,3,8-9H2,(H,20,21)
InChIKeyKIGFRJQGFCGLDV-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.54
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 31779380) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID31779380
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H15ClFNO/c18-13-5-1-4-12(10-13)17(8-3-9-17)16(21)20-15-7-2-6-14(19)11-15/h1-2,4-7,10-11H,3,8-9H2,(H,20,21)
InChIKeyKIGFRJQGFCGLDV-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
N-[3-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55742350
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 39466401
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 31779380) is 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide is O=C(Nc1cccc(F)c1)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is KIGFRJQGFCGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-13-5-1-4-12(10-13)17(8-3-9-17)16(21)20-15-7-2-6-14(19)11-15/h1-2,4-7,10-11H,3,8-9H2,(H,20,21).
What are the key properties of 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 303.76 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 31779380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).