1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide

C16H12ClF2NO — CID 110439413

IUPAC1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H12ClF2NO/c17-12-4-2-1-3-11(12)16(7-8-16)15(21)20-14-6-5-10(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,21)
InChIKeyHWSJTUPQQOKLHN-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.29
Rot. Bonds3

About 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110439413) has the molecular formula C16H12ClF2NO and a molecular weight of 307.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID110439413
Molecular FormulaC16H12ClF2NO
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H12ClF2NO/c17-12-4-2-1-3-11(12)16(7-8-16)15(21)20-14-6-5-10(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,21)
InChIKeyHWSJTUPQQOKLHN-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(2,4-difluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435435
N-(2-chlorophenyl)-1-(6-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211145
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438414
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 110439401
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
CID 64786881
N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439373
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7996261

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide (CID 110439413) is 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)cc1F)C1(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is HWSJTUPQQOKLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO/c17-12-4-2-1-3-11(12)16(7-8-16)15(21)20-14-6-5-10(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 307.73 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110439413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).