N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide

C11H12ClNO — CID 899098

IUPACN-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CC1
InChIInChI=1S/C11H12ClNO/c12-10-4-2-1-3-9(10)7-13-11(14)8-5-6-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyXVFIWAOLHBWJBV-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.37
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide (PubChem CID 899098) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
PubChem CID899098
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CC1
InChIInChI=1S/C11H12ClNO/c12-10-4-2-1-3-9(10)7-13-11(14)8-5-6-8/h1-4,8H,5-7H2,(H,13,14)
InChIKeyXVFIWAOLHBWJBV-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148273

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide (CID 899098) is N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide is O=C(NCc1ccccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide?
The InChIKey is XVFIWAOLHBWJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-10-4-2-1-3-9(10)7-13-11(14)8-5-6-8/h1-4,8H,5-7H2,(H,13,14).
What are the key properties of N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide?
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide has a molecular weight of 209.68 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 899098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).