4-chloro-N-(3,4-dimethylphenyl)benzamide

C15H14ClNO — CID 720133

IUPAC4-chloro-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H14ClNO/c1-10-3-8-14(9-11(10)2)17-15(18)12-4-6-13(16)7-5-12/h3-9H,1-2H3,(H,17,18)
InChIKeySXFOCYOATNAWQS-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.21
Rot. Bonds2

About 4-chloro-N-(3,4-dimethylphenyl)benzamide

4-chloro-N-(3,4-dimethylphenyl)benzamide (PubChem CID 720133) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethylphenyl)benzamide
PubChem CID720133
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name4-chloro-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H14ClNO/c1-10-3-8-14(9-11(10)2)17-15(18)12-4-6-13(16)7-5-12/h3-9H,1-2H3,(H,17,18)
InChIKeySXFOCYOATNAWQS-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)benzamide (CID 720133) is 4-chloro-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 4-chloro-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is SXFOCYOATNAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-10-3-8-14(9-11(10)2)17-15(18)12-4-6-13(16)7-5-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-chloro-N-(3,4-dimethylphenyl)benzamide?
4-chloro-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 259.74 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 720133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).