4-methyl-3-(phenylcarbamoylamino)benzamide

C15H15N3O2 — CID 110472244

IUPAC4-methyl-3-(phenylcarbamoylamino)benzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O2/c1-10-7-8-11(14(16)19)9-13(10)18-15(20)17-12-5-3-2-4-6-12/h2-9H,1H3,(H2,16,19)(H2,17,18,20)
InChIKeyXTNFUAPJHUGKKU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-3-(phenylcarbamoylamino)benzamide

4-methyl-3-(phenylcarbamoylamino)benzamide (PubChem CID 110472244) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methyl-3-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-methyl-3-(phenylcarbamoylamino)benzamide
PubChem CID110472244
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-methyl-3-(phenylcarbamoylamino)benzamide
SMILESCc1ccc(C(N)=O)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O2/c1-10-7-8-11(14(16)19)9-13(10)18-15(20)17-12-5-3-2-4-6-12/h2-9H,1H3,(H2,16,19)(H2,17,18,20)
InChIKeyXTNFUAPJHUGKKU-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362
3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 6467536
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17374992
1-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3-phenylurea
CID 119418250
N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide
CID 119591792
3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 7657756
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(phenylcarbamoylamino)benzamide?
The IUPAC name of 4-methyl-3-(phenylcarbamoylamino)benzamide (CID 110472244) is 4-methyl-3-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for 4-methyl-3-(phenylcarbamoylamino)benzamide?
The canonical SMILES for 4-methyl-3-(phenylcarbamoylamino)benzamide is Cc1ccc(C(N)=O)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-3-(phenylcarbamoylamino)benzamide?
The InChIKey is XTNFUAPJHUGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-7-8-11(14(16)19)9-13(10)18-15(20)17-12-5-3-2-4-6-12/h2-9H,1H3,(H2,16,19)(H2,17,18,20).
What are the key properties of 4-methyl-3-(phenylcarbamoylamino)benzamide?
4-methyl-3-(phenylcarbamoylamino)benzamide has a molecular weight of 269.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 110472244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).