1-(2-aminophenyl)-3-benzylurea

C14H15N3O — CID 86135193

IUPAC1-(2-aminophenyl)-3-benzylurea
SMILESNc1ccccc1NC(=O)NCc1ccccc1
InChIInChI=1S/C14H15N3O/c15-12-8-4-5-9-13(12)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H2,16,17,18)
InChIKeyVLLCIRBHUJDACG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-aminophenyl)-3-benzylurea

1-(2-aminophenyl)-3-benzylurea (PubChem CID 86135193) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-benzylurea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-benzylurea
PubChem CID86135193
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(2-aminophenyl)-3-benzylurea
SMILESNc1ccccc1NC(=O)NCc1ccccc1
InChIInChI=1S/C14H15N3O/c15-12-8-4-5-9-13(12)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H2,16,17,18)
InChIKeyVLLCIRBHUJDACG-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-(4-amino-2-hydroxyphenyl)-3-benzylurea
CID 15553207
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
1-benzyl-3-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]urea
CID 107654444
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
1-[[(2-aminophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436780
6-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 61404398
1-[(2-aminophenyl)methyl]-3-(2-chlorophenyl)urea
CID 5122456
1-benzyl-3-(2,4-dihydroxyphenyl)urea
CID 69011055

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-benzylurea?
The IUPAC name of 1-(2-aminophenyl)-3-benzylurea (CID 86135193) is 1-(2-aminophenyl)-3-benzylurea.
What is the SMILES notation for 1-(2-aminophenyl)-3-benzylurea?
The canonical SMILES for 1-(2-aminophenyl)-3-benzylurea is Nc1ccccc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-(2-aminophenyl)-3-benzylurea?
The InChIKey is VLLCIRBHUJDACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-12-8-4-5-9-13(12)17-14(18)16-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H2,16,17,18).
What are the key properties of 1-(2-aminophenyl)-3-benzylurea?
1-(2-aminophenyl)-3-benzylurea has a molecular weight of 241.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-benzylurea is sourced from PubChem (CID 86135193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).