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

C17H18ClNO — CID 100708233

IUPACN-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C17H18ClNO/c1-10-7-12(3)15(9-11(10)2)17(20)19-16-6-5-14(18)8-13(16)4/h5-9H,1-4H3,(H,19,20)
InChIKeyWXSZVTVZPIPFTM-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.83
Rot. Bonds2

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

N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide (PubChem CID 100708233) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
PubChem CID100708233
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C17H18ClNO/c1-10-7-12(3)15(9-11(10)2)17(20)19-16-6-5-14(18)8-13(16)4/h5-9H,1-4H3,(H,19,20)
InChIKeyWXSZVTVZPIPFTM-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

2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
4-[(2-amino-4-chlorobenzoyl)amino]-3-methylbenzamide
CID 62059537
2-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzamide
CID 110451300

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide (CID 100708233) is N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide?
The InChIKey is WXSZVTVZPIPFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-10-7-12(3)15(9-11(10)2)17(20)19-16-6-5-14(18)8-13(16)4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide?
N-(4-chloro-2-methylphenyl)-2,4,5-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-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100708233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).