N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide

C12H15ClN2O — CID 70559850

IUPACN-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C12H15ClN2O/c1-12(6-7-15-12)11(16)14-8-9-2-4-10(13)5-3-9/h2-5,15H,6-8H2,1H3,(H,14,16)
InChIKeyDEAIGIYAVHOUEQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.71
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide

N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide (PubChem CID 70559850) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
PubChem CID70559850
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C12H15ClN2O/c1-12(6-7-15-12)11(16)14-8-9-2-4-10(13)5-3-9/h2-5,15H,6-8H2,1H3,(H,14,16)
InChIKeyDEAIGIYAVHOUEQ-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-methylpiperidine-2-carbonyl)amino]methyl]benzoic acid
CID 104596566
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
methyl 1-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184435
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-N'-tert-butyl-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976064
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
trans-(1S,3R)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 40600346
N-[(4-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4861594
2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 104596520
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide (CID 70559850) is N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide is CC1(C(=O)NCc2ccc(Cl)cc2)CCN1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide?
The InChIKey is DEAIGIYAVHOUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(6-7-15-12)11(16)14-8-9-2-4-10(13)5-3-9/h2-5,15H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide is sourced from PubChem (CID 70559850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).