N-(3-chloro-4-methylphenyl)-3-methylbenzamide

C15H14ClNO — CID 710448

IUPACN-(3-chloro-4-methylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H14ClNO/c1-10-4-3-5-12(8-10)15(18)17-13-7-6-11(2)14(16)9-13/h3-9H,1-2H3,(H,17,18)
InChIKeyJBTBJDYWNFRACU-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.21
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-3-methylbenzamide

N-(3-chloro-4-methylphenyl)-3-methylbenzamide (PubChem CID 710448) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-methylbenzamide
PubChem CID710448
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC NameN-(3-chloro-4-methylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H14ClNO/c1-10-4-3-5-12(8-10)15(18)17-13-7-6-11(2)14(16)9-13/h3-9H,1-2H3,(H,17,18)
InChIKeyJBTBJDYWNFRACU-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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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylbenzamide (CID 710448) is N-(3-chloro-4-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-methylbenzamide?
The InChIKey is JBTBJDYWNFRACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-10-4-3-5-12(8-10)15(18)17-13-7-6-11(2)14(16)9-13/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-methylbenzamide?
N-(3-chloro-4-methylphenyl)-3-methylbenzamide 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 N-(3-chloro-4-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 710448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).