N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide

C18H17ClN2O2 — CID 110439128

IUPACN-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H17ClN2O2/c1-12(22)20-15-6-3-7-16(11-15)21-17(23)18(8-9-18)13-4-2-5-14(19)10-13/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFWDGALSGJBVOFU-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.97
Rot. Bonds4

About N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide

N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 110439128) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID110439128
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H17ClN2O2/c1-12(22)20-15-6-3-7-16(11-15)21-17(23)18(8-9-18)13-4-2-5-14(19)10-13/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyFWDGALSGJBVOFU-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-methylphenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439155
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 39466401
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
1-(3-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 35556578

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 110439128) is N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is FWDGALSGJBVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12(22)20-15-6-3-7-16(11-15)21-17(23)18(8-9-18)13-4-2-5-14(19)10-13/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide?
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110439128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).