N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide

C12H14ClNO — CID 17173308

IUPACN-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC1
InChIInChI=1S/C12H14ClNO/c13-11-7-2-1-4-10(11)8-14-12(15)9-5-3-6-9/h1-2,4,7,9H,3,5-6,8H2,(H,14,15)
InChIKeyZANODMPTHPFOPT-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.76
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide (PubChem CID 17173308) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
PubChem CID17173308
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC1
InChIInChI=1S/C12H14ClNO/c13-11-7-2-1-4-10(11)8-14-12(15)9-5-3-6-9/h1-2,4,7,9H,3,5-6,8H2,(H,14,15)
InChIKeyZANODMPTHPFOPT-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
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
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-benzylcyclobutanecarboxamide
CID 730128

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide (CID 17173308) is N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide is O=C(NCc1ccccc1Cl)C1CCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide?
The InChIKey is ZANODMPTHPFOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-7-2-1-4-10(11)8-14-12(15)9-5-3-6-9/h1-2,4,7,9H,3,5-6,8H2,(H,14,15).
What are the key properties of N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide?
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide has a molecular weight of 223.70 g/mol, XLogP of 2.76, 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]cyclobutanecarboxamide is sourced from PubChem (CID 17173308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).