N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide

C17H18ClNO — CID 100542363

IUPACN-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-12-4-5-13(2)16(10-12)17(20)19(3)11-14-6-8-15(18)9-7-14/h4-10H,11H2,1-3H3
InChIKeyTVTZJMSLESMOEO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.23
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide

N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide (PubChem CID 100542363) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
PubChem CID100542363
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-12-4-5-13(2)16(10-12)17(20)19(3)11-14-6-8-15(18)9-7-14/h4-10H,11H2,1-3H3
InChIKeyTVTZJMSLESMOEO-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
CID 100559271
5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 62236200
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide (CID 100542363) is N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide is Cc1ccc(C)c(C(=O)N(C)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide?
The InChIKey is TVTZJMSLESMOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-4-5-13(2)16(10-12)17(20)19(3)11-14-6-8-15(18)9-7-14/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide?
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide has a molecular weight of 287.79 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide is sourced from PubChem (CID 100542363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).