N-(3-carbamoylphenyl)-2,5-dimethylbenzamide

C16H16N2O2 — CID 17394434

IUPACN-(3-carbamoylphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H16N2O2/c1-10-6-7-11(2)14(8-10)16(20)18-13-5-3-4-12(9-13)15(17)19/h3-9H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyVBWVFKNZOYDTMZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.65
Rot. Bonds3

About N-(3-carbamoylphenyl)-2,5-dimethylbenzamide

N-(3-carbamoylphenyl)-2,5-dimethylbenzamide (PubChem CID 17394434) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2,5-dimethylbenzamide
PubChem CID17394434
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(3-carbamoylphenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H16N2O2/c1-10-6-7-11(2)14(8-10)16(20)18-13-5-3-4-12(9-13)15(17)19/h3-9H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyVBWVFKNZOYDTMZ-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
CID 87915967
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803821
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
2-[(3-carbamoylphenyl)carbamoyl]benzoate
CID 3545155
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 62513164
2-methyl-4-[(3-methylbenzoyl)amino]benzamide
CID 126612438

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(3-carbamoylphenyl)-2,5-dimethylbenzamide (CID 17394434) is N-(3-carbamoylphenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-2,5-dimethylbenzamide?
The InChIKey is VBWVFKNZOYDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-6-7-11(2)14(8-10)16(20)18-13-5-3-4-12(9-13)15(17)19/h3-9H,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-(3-carbamoylphenyl)-2,5-dimethylbenzamide?
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 17394434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).