2-azido-4-chloro-N,N-dimethylbenzamide

C9H9ClN4O — CID 169324899

IUPAC2-azido-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C9H9ClN4O/c1-14(2)9(15)7-4-3-6(10)5-8(7)12-13-11/h3-5H,1-2H3
InChIKeyFIORLNPHVHKCCF-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.98
Rot. Bonds2

About 2-azido-4-chloro-N,N-dimethylbenzamide

2-azido-4-chloro-N,N-dimethylbenzamide (PubChem CID 169324899) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-azido-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-azido-4-chloro-N,N-dimethylbenzamide
PubChem CID169324899
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-azido-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1N=[N+]=[N-]
InChIInChI=1S/C9H9ClN4O/c1-14(2)9(15)7-4-3-6(10)5-8(7)12-13-11/h3-5H,1-2H3
InChIKeyFIORLNPHVHKCCF-UHFFFAOYSA-N
XLogP2.98
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
CID 169365881
N-(2-azido-4-chlorophenyl)-2-methylpropanamide
CID 169325352
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-N,N-dimethyl-2-[(4-methylcyclohexyl)amino]benzamide
CID 43737618
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
4-chloro-N,N-dimethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727164
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-azido-4-chloro-N,N-dimethylbenzamide (CID 169324899) is 2-azido-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-azido-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-azido-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1N=[N+]=[N-].
What is the InChIKey of 2-azido-4-chloro-N,N-dimethylbenzamide?
The InChIKey is FIORLNPHVHKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-14(2)9(15)7-4-3-6(10)5-8(7)12-13-11/h3-5H,1-2H3.
What are the key properties of 2-azido-4-chloro-N,N-dimethylbenzamide?
2-azido-4-chloro-N,N-dimethylbenzamide has a molecular weight of 224.65 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 169324899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).