1-benzamido-3-(3-methylphenyl)urea

C15H15N3O2 — CID 19798346

IUPAC1-benzamido-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C15H15N3O2/c1-11-6-5-9-13(10-11)16-15(20)18-17-14(19)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H2,16,18,20)
InChIKeyHOVLKOZHAMXYOI-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.46
Rot. Bonds2

About 1-benzamido-3-(3-methylphenyl)urea

1-benzamido-3-(3-methylphenyl)urea (PubChem CID 19798346) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-benzamido-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-benzamido-3-(3-methylphenyl)urea
PubChem CID19798346
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-benzamido-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C15H15N3O2/c1-11-6-5-9-13(10-11)16-15(20)18-17-14(19)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H2,16,18,20)
InChIKeyHOVLKOZHAMXYOI-UHFFFAOYSA-N
XLogP2.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea
CID 4205800
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
1-[(3-fluorobenzoyl)amino]-3-phenylurea
CID 3412170
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea
CID 141393999

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(3-methylphenyl)urea?
The IUPAC name of 1-benzamido-3-(3-methylphenyl)urea (CID 19798346) is 1-benzamido-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-benzamido-3-(3-methylphenyl)urea?
The canonical SMILES for 1-benzamido-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NNC(=O)c2ccccc2)c1.
What is the InChIKey of 1-benzamido-3-(3-methylphenyl)urea?
The InChIKey is HOVLKOZHAMXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-6-5-9-13(10-11)16-15(20)18-17-14(19)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-benzamido-3-(3-methylphenyl)urea?
1-benzamido-3-(3-methylphenyl)urea has a molecular weight of 269.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(3-methylphenyl)urea is sourced from PubChem (CID 19798346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).