2-chloro-5-(3-methylphenyl)benzamide

C14H12ClNO — CID 151079507

IUPAC2-chloro-5-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(Cl)c(C(N)=O)c2)c1
InChIInChI=1S/C14H12ClNO/c1-9-3-2-4-10(7-9)11-5-6-13(15)12(8-11)14(16)17/h2-8H,1H3,(H2,16,17)
InChIKeyMJVBYERPFLXWSV-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.41
Rot. Bonds2

About 2-chloro-5-(3-methylphenyl)benzamide

2-chloro-5-(3-methylphenyl)benzamide (PubChem CID 151079507) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-5-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(3-methylphenyl)benzamide
PubChem CID151079507
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name2-chloro-5-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(Cl)c(C(N)=O)c2)c1
InChIInChI=1S/C14H12ClNO/c1-9-3-2-4-10(7-9)11-5-6-13(15)12(8-11)14(16)17/h2-8H,1H3,(H2,16,17)
InChIKeyMJVBYERPFLXWSV-UHFFFAOYSA-N
XLogP3.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methylphenyl)benzamide?
The IUPAC name of 2-chloro-5-(3-methylphenyl)benzamide (CID 151079507) is 2-chloro-5-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(3-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(3-methylphenyl)benzamide is Cc1cccc(-c2ccc(Cl)c(C(N)=O)c2)c1.
What is the InChIKey of 2-chloro-5-(3-methylphenyl)benzamide?
The InChIKey is MJVBYERPFLXWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-3-2-4-10(7-9)11-5-6-13(15)12(8-11)14(16)17/h2-8H,1H3,(H2,16,17).
What are the key properties of 2-chloro-5-(3-methylphenyl)benzamide?
2-chloro-5-(3-methylphenyl)benzamide has a molecular weight of 245.71 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methylphenyl)benzamide is sourced from PubChem (CID 151079507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).