N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide

C18H16ClNO2 — CID 110439373

IUPACN-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H16ClNO2/c1-12(21)13-5-4-6-14(11-13)20-17(22)18(9-10-18)15-7-2-3-8-16(15)19/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyMHJVQIRRTKPREV-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.21
Rot. Bonds4

About N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide

N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 110439373) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID110439373
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC NameN-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H16ClNO2/c1-12(21)13-5-4-6-14(11-13)20-17(22)18(9-10-18)15-7-2-3-8-16(15)19/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyMHJVQIRRTKPREV-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 110439401
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
N-[3-(butanoylamino)phenyl]-4-(2-chlorophenyl)oxane-4-carboxamide
CID 86897484
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 100676610
N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108515059

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 110439373) is N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2(c3ccccc3Cl)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MHJVQIRRTKPREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12(21)13-5-4-6-14(11-13)20-17(22)18(9-10-18)15-7-2-3-8-16(15)19/h2-8,11H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide?
N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 313.78 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110439373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).