3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide

C20H17ClN2O2 — CID 110360522

IUPAC3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(N(Cc2cccnc2)C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClN2O2/c1-25-19-9-3-8-18(12-19)23(14-15-5-4-10-22-13-15)20(24)16-6-2-7-17(21)11-16/h2-13H,14H2,1H3
InChIKeyAIKWCONCEXSUPZ-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.59
Rot. Bonds5

About 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide

3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 110360522) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID110360522
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(N(Cc2cccnc2)C(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C20H17ClN2O2/c1-25-19-9-3-8-18(12-19)23(14-15-5-4-10-22-13-15)20(24)16-6-2-7-17(21)11-16/h2-13H,14H2,1H3
InChIKeyAIKWCONCEXSUPZ-UHFFFAOYSA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
3,5-dimethoxy-N-(3-methylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360333
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 18572499
N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360716
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
N-(3-chlorophenyl)-2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 110360968
N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110360634
3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 19631305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide (CID 110360522) is 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide is COc1cccc(N(Cc2cccnc2)C(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is AIKWCONCEXSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-19-9-3-8-18(12-19)23(14-15-5-4-10-22-13-15)20(24)16-6-2-7-17(21)11-16/h2-13H,14H2,1H3.
What are the key properties of 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 352.82 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 110360522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).