1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

C18H17Cl2NO — CID 112790191

IUPAC1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17Cl2NO/c1-21(12-13-2-6-15(19)7-3-13)17(22)18(10-11-18)14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3
InChIKeyAHTPLOLQJURSSV-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.68
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 112790191) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID112790191
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17Cl2NO/c1-21(12-13-2-6-15(19)7-3-13)17(22)18(10-11-18)14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3
InChIKeyAHTPLOLQJURSSV-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-N-methylcyclobutane-1-carboxamide
CID 9168076
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 143002886
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 78784523
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55521666
1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55549481
N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 10250072
4-(4-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 134787709
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 112790191) is 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is AHTPLOLQJURSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-21(12-13-2-6-15(19)7-3-13)17(22)18(10-11-18)14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 334.25 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 112790191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).