N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide

C17H18ClNO — CID 675121

IUPACN-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(Cl)ccc2C)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-10-7-12(3)16(13(4)8-10)17(20)19-15-9-14(18)6-5-11(15)2/h5-9H,1-4H3,(H,19,20)
InChIKeyKGQOTILUSJMDOC-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.83
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide

N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide (PubChem CID 675121) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
PubChem CID675121
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(Cl)ccc2C)c(C)c1
InChIInChI=1S/C17H18ClNO/c1-10-7-12(3)16(13(4)8-10)17(20)19-15-9-14(18)6-5-11(15)2/h5-9H,1-4H3,(H,19,20)
InChIKeyKGQOTILUSJMDOC-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
N-(5-chloro-2-methylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513869
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide (CID 675121) is N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(Cl)ccc2C)c(C)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide?
The InChIKey is KGQOTILUSJMDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-10-7-12(3)16(13(4)8-10)17(20)19-15-9-14(18)6-5-11(15)2/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide?
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide has a molecular weight of 287.79 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 675121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).