2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide

C16H16ClNO — CID 885780

IUPAC2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C)c(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-10-7-8-13(14(17)9-10)16(19)18-15-6-4-5-11(2)12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyAIUSOBLLIWHXHX-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.52
Rot. Bonds2

About 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide

2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide (PubChem CID 885780) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide
PubChem CID885780
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C)c(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-10-7-8-13(14(17)9-10)16(19)18-15-6-4-5-11(2)12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyAIUSOBLLIWHXHX-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide (CID 885780) is 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C)c2C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide?
The InChIKey is AIUSOBLLIWHXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-7-8-13(14(17)9-10)16(19)18-15-6-4-5-11(2)12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide?
2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylphenyl)-4-methylbenzamide is sourced from PubChem (CID 885780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).