2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide

C13H12ClN3O — CID 106934198

IUPAC2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1N)c1ccncc1
InChIInChI=1S/C13H12ClN3O/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15/h2-8H,15H2,1H3
InChIKeyMXWAOKOGXCYPIB-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.59
Rot. Bonds2

About 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide

2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide (PubChem CID 106934198) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
PubChem CID106934198
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1N)c1ccncc1
InChIInChI=1S/C13H12ClN3O/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15/h2-8H,15H2,1H3
InChIKeyMXWAOKOGXCYPIB-UHFFFAOYSA-N
XLogP2.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
CID 106934261
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
CID 106934244
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
CID 106937177
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
3-amino-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105069166
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide (CID 106934198) is 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide is CN(C(=O)c1ccc(Cl)cc1N)c1ccncc1.
What is the InChIKey of 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is MXWAOKOGXCYPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-17(10-4-6-16-7-5-10)13(18)11-3-2-9(14)8-12(11)15/h2-8H,15H2,1H3.
What are the key properties of 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide?
2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 261.71 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106934198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).