N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide

C17H15Cl2NO2 — CID 86857924

IUPACN-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-22-13-6-7-15(14(19)10-13)20-16(21)17(8-9-17)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyNQQSMMORIPVQNM-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.67
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide

N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 86857924) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID86857924
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC NameN-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c1-22-13-6-7-15(14(19)10-13)20-16(21)17(8-9-17)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyNQQSMMORIPVQNM-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198551
1-[(2-chloro-4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181821
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
N-(5-acetamido-2-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26243035
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467
N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 112790088
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
N-[4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26210798
methyl 4-chloro-3-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoate
CID 55338524
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 86857924) is N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is NQQSMMORIPVQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-22-13-6-7-15(14(19)10-13)20-16(21)17(8-9-17)11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86857924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).