2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride

C15H13ClN2O3 — CID 71429785

IUPAC2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1C(=O)Cl
InChIInChI=1S/C15H13ClN2O3/c1-21-13-5-4-11(7-12(13)14(16)19)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H,18,20)
InChIKeyIQCXEZLYWKVHSA-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.40
Rot. Bonds5

About 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride

2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride (PubChem CID 71429785) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
PubChem CID71429785
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1C(=O)Cl
InChIInChI=1S/C15H13ClN2O3/c1-21-13-5-4-11(7-12(13)14(16)19)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H,18,20)
InChIKeyIQCXEZLYWKVHSA-UHFFFAOYSA-N
XLogP2.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride 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

3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
3-N-(5-chloro-2-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055121
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978
3-[[[4-methoxy-3-(4-methyl-N-sulfinoanilino)benzoyl]amino]methyl]pyridine
CID 175370271
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055063
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride?
The IUPAC name of 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride (CID 71429785) is 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride.
What is the SMILES notation for 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride?
The canonical SMILES for 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride is COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)Cl.
What is the InChIKey of 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride?
The InChIKey is IQCXEZLYWKVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-13-5-4-11(7-12(13)14(16)19)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride?
2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride has a molecular weight of 304.73 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride is sourced from PubChem (CID 71429785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).