N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide

C19H22N2O2 — CID 977709

IUPACN-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1C
InChIInChI=1S/C19H22N2O2/c1-12(2)18(22)20-16-10-8-15(9-11-16)19(23)21-17-7-5-6-13(3)14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyGIDOZSNDLKEEBI-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.15
Rot. Bonds4

About N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide

N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 977709) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
PubChem CID977709
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1C
InChIInChI=1S/C19H22N2O2/c1-12(2)18(22)20-16-10-8-15(9-11-16)19(23)21-17-7-5-6-13(3)14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyGIDOZSNDLKEEBI-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309087
4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide
CID 1179525
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
CID 168520811
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
4-acetamido-N-(3-acetamido-2-methylphenyl)benzamide
CID 134019280
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-4-(2-methylpropanoylamino)benzamide
CID 39098073
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide (CID 977709) is N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide is Cc1cccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is GIDOZSNDLKEEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12(2)18(22)20-16-10-8-15(9-11-16)19(23)21-17-7-5-6-13(3)14(17)4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide?
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 310.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 977709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).