N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide

C19H23N3O2 — CID 51216735

IUPACN-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)NC(C)C)c1C
InChIInChI=1S/C19H23N3O2/c1-12(2)20-19(24)22-17-10-6-5-9-15(17)18(23)21-16-11-7-8-13(3)14(16)4/h5-12H,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyRXYSIZKHFMVEQC-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.09
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide

N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 51216735) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID51216735
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)NC(C)C)c1C
InChIInChI=1S/C19H23N3O2/c1-12(2)20-19(24)22-17-10-6-5-9-15(17)18(23)21-16-11-7-8-13(3)14(16)4/h5-12H,1-4H3,(H,21,23)(H2,20,22,24)
InChIKeyRXYSIZKHFMVEQC-UHFFFAOYSA-N
XLogP4.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
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2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 52714170
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27743019
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide (CID 51216735) is N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)NC(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is RXYSIZKHFMVEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)20-19(24)22-17-10-6-5-9-15(17)18(23)21-16-11-7-8-13(3)14(16)4/h5-12H,1-4H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide?
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 51216735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).