N-[(2-chloro-3-pyridinyl)methyl]benzamide

C13H11ClN2O — CID 90812537

IUPACN-[(2-chloro-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c14-12-11(7-4-8-15-12)9-16-13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChIKeyGZPMHHNHEHPDDQ-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.66
Rot. Bonds3

About N-[(2-chloro-3-pyridinyl)methyl]benzamide

N-[(2-chloro-3-pyridinyl)methyl]benzamide (PubChem CID 90812537) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]benzamide
PubChem CID90812537
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C13H11ClN2O/c14-12-11(7-4-8-15-12)9-16-13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChIKeyGZPMHHNHEHPDDQ-UHFFFAOYSA-N
XLogP2.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
[2-(benzamidomethyl)phenyl]boronic acid
CID 10244067
N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide
CID 101265418
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515323

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]benzamide?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]benzamide (CID 90812537) is N-[(2-chloro-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]benzamide?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]benzamide?
The InChIKey is GZPMHHNHEHPDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-12-11(7-4-8-15-12)9-16-13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]benzamide?
N-[(2-chloro-3-pyridinyl)methyl]benzamide has a molecular weight of 246.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 90812537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).