3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide

C14H13ClN2O — CID 63327302

IUPAC3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H13ClN2O/c1-10-5-6-16-9-13(10)17-14(18)12-4-2-3-11(7-12)8-15/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyHKBZTNIECYKKSW-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.38
Rot. Bonds3

About 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide

3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide (PubChem CID 63327302) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
PubChem CID63327302
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H13ClN2O/c1-10-5-6-16-9-13(10)17-14(18)12-4-2-3-11(7-12)8-15/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyHKBZTNIECYKKSW-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
3-(chloromethyl)-N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]benzamide
CID 22291059
2-fluoro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 55203428
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992
N-(4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 55225910
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide (CID 63327302) is 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1NC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is HKBZTNIECYKKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-13(10)17-14(18)12-4-2-3-11(7-12)8-15/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide?
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 260.72 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 63327302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).