4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide

C13H12ClN3O2 — CID 110465014

IUPAC4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-7-10(15)9(14)6-8(11)13(18)17-12-4-2-3-5-16-12/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyZJQVYRKDQGYJKK-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.58
Rot. Bonds3

About 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide

4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 110465014) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
PubChem CID110465014
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-7-10(15)9(14)6-8(11)13(18)17-12-4-2-3-5-16-12/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyZJQVYRKDQGYJKK-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-4-methyl-N-pyridin-2-ylbenzamide
CID 110762069
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
CID 119399937
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate
CID 110492036
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
4-amino-5-chloro-2-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 119898137
1-(4-chloro-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 51062921

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide (CID 110465014) is 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide is COc1cc(N)c(Cl)cc1C(=O)Nc1ccccn1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is ZJQVYRKDQGYJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-11-7-10(15)9(14)6-8(11)13(18)17-12-4-2-3-5-16-12/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide?
4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 277.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 110465014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).