3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide

C14H13ClN2O2 — CID 6472060

IUPAC3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-19-13-3-2-11(8-12(13)15)14(18)17-9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMXOGUIXMXVEPRQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.67
Rot. Bonds4

About 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide

3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 6472060) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID6472060
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-19-13-3-2-11(8-12(13)15)14(18)17-9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMXOGUIXMXVEPRQ-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
CID 110410741
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide (CID 6472060) is 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(C(=O)NCc2ccncc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is MXOGUIXMXVEPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-13-3-2-11(8-12(13)15)14(18)17-9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 276.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 6472060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).