4-chloro-2-methyl-N-pyridin-3-ylbenzamide

C13H11ClN2O — CID 70845724

IUPAC4-chloro-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1cccnc1
InChIInChI=1S/C13H11ClN2O/c1-9-7-10(14)4-5-12(9)13(17)16-11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17)
InChIKeyMBMCALZYKZTLAH-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-2-methyl-N-pyridin-3-ylbenzamide

4-chloro-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 70845724) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID70845724
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name4-chloro-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)Nc1cccnc1
InChIInChI=1S/C13H11ClN2O/c1-9-7-10(14)4-5-12(9)13(17)16-11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17)
InChIKeyMBMCALZYKZTLAH-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-chloro-2-methyl-N-pyridin-3-ylbenzamide (CID 70845724) is 4-chloro-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-chloro-2-methyl-N-pyridin-3-ylbenzamide is Cc1cc(Cl)ccc1C(=O)Nc1cccnc1.
What is the InChIKey of 4-chloro-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is MBMCALZYKZTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9-7-10(14)4-5-12(9)13(17)16-11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17).
What are the key properties of 4-chloro-2-methyl-N-pyridin-3-ylbenzamide?
4-chloro-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 246.70 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 70845724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).