N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide

C18H17Cl2NO — CID 143002886

IUPACN-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2NO/c1-21(12-13-5-3-2-4-6-13)17(22)18(9-10-18)14-7-8-15(19)16(20)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyFJGQDBZAIMLKTR-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.68
Rot. Bonds4

About N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide

N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 143002886) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID143002886
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC NameN-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2NO/c1-21(12-13-5-3-2-4-6-13)17(22)18(9-10-18)14-7-8-15(19)16(20)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyFJGQDBZAIMLKTR-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

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
CID 55920544
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975622
1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 55521841
1-(3,4-dichlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
CID 65017318
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide (CID 143002886) is N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide is CN(Cc1ccccc1)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is FJGQDBZAIMLKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-21(12-13-5-3-2-4-6-13)17(22)18(9-10-18)14-7-8-15(19)16(20)11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide?
N-benzyl-1-(3,4-dichlorophenyl)-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 N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 143002886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).