N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide

C18H21NO — CID 100707473

IUPACN-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
SMILESCc1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C18H21NO/c1-11-6-7-16(9-13(11)3)19-18(20)17-10-14(4)12(2)8-15(17)5/h6-10H,1-5H3,(H,19,20)
InChIKeyISHKDYXAJBLVES-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.48
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide

N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide (PubChem CID 100707473) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
PubChem CID100707473
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
SMILESCc1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C18H21NO/c1-11-6-7-16(9-13(11)3)19-18(20)17-10-14(4)12(2)8-15(17)5/h6-10H,1-5H3,(H,19,20)
InChIKeyISHKDYXAJBLVES-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)-2,3,4-trimethylbenzamide
CID 163590509
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
4-[(3,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 15943706
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
2-[(3,4-dimethylphenyl)carbamoyl]terephthalate
CID 7364814
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559
4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
CID 70116493
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide (CID 100707473) is N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide is Cc1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide?
The InChIKey is ISHKDYXAJBLVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-6-7-16(9-13(11)3)19-18(20)17-10-14(4)12(2)8-15(17)5/h6-10H,1-5H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide?
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100707473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).