N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide

C13H17ClN2O2 — CID 115158922

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)C1CNC1
InChIInChI=1S/C13H17ClN2O2/c1-16(13(17)10-6-15-7-10)8-9-5-11(14)3-4-12(9)18-2/h3-5,10,15H,6-8H2,1-2H3
InChIKeyVJQIDSBZYDHXPZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.53
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide (PubChem CID 115158922) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
PubChem CID115158922
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)C1CNC1
InChIInChI=1S/C13H17ClN2O2/c1-16(13(17)10-6-15-7-10)8-9-5-11(14)3-4-12(9)18-2/h3-5,10,15H,6-8H2,1-2H3
InChIKeyVJQIDSBZYDHXPZ-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138507
(2R,4S)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138973
(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124588399
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159073
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95726095
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
acetic acid;(3R,6S)-6-amino-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)azepane-3-carboxamide
CID 166598893

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide (CID 115158922) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)C1CNC1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is VJQIDSBZYDHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(13(17)10-6-15-7-10)8-9-5-11(14)3-4-12(9)18-2/h3-5,10,15H,6-8H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 115158922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).