1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide

C12H14Cl2N2O — CID 100611651

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c1-15-12(17)9-6-16(7-9)5-8-2-3-10(13)4-11(8)14/h2-4,9H,5-7H2,1H3,(H,15,17)
InChIKeyBTGNLZMRKOYOBI-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.17
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide (PubChem CID 100611651) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide
PubChem CID100611651
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c1-15-12(17)9-6-16(7-9)5-8-2-3-10(13)4-11(8)14/h2-4,9H,5-7H2,1H3,(H,15,17)
InChIKeyBTGNLZMRKOYOBI-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
CID 166602867
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 93490651
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide (CID 100611651) is 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide?
The InChIKey is BTGNLZMRKOYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-15-12(17)9-6-16(7-9)5-8-2-3-10(13)4-11(8)14/h2-4,9H,5-7H2,1H3,(H,15,17).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 100611651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).