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

C14H13ClN2O2 — CID 110763497

IUPAC2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-2-3-12(13(15)8-11)14(18)17-9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyDXRGJAPGWACMPY-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide

2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 110763497) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID110763497
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-19-11-2-3-12(13(15)8-11)14(18)17-9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyDXRGJAPGWACMPY-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

2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide (CID 110763497) is 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(C(=O)NCc2ccncc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is DXRGJAPGWACMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-11-2-3-12(13(15)8-11)14(18)17-9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide?
2-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 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 110763497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).