[4-(benzylamino)phenyl]urea

C14H15N3O — CID 43744943

IUPAC[4-(benzylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C14H15N3O/c15-14(18)17-13-8-6-12(7-9-13)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H3,15,17,18)
InChIKeyIDTCVDAXOMGHCX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.79
Rot. Bonds4

About [4-(benzylamino)phenyl]urea

[4-(benzylamino)phenyl]urea (PubChem CID 43744943) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [4-(benzylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(benzylamino)phenyl]urea
PubChem CID43744943
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[4-(benzylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C14H15N3O/c15-14(18)17-13-8-6-12(7-9-13)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H3,15,17,18)
InChIKeyIDTCVDAXOMGHCX-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-(benzylamino)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
molecular hydrogen;phenylurea
CID 143657584
CID 163931246
CID 163931246
(2S)-2-amino-3-[4-(benzylamino)phenyl]propanoic acid
CID 59773787
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
4-(benzylamino)phenol;hydrochloride
CID 16738613
ethanol;phenylurea
CID 158950745

Frequently Asked Questions

What is the IUPAC name of [4-(benzylamino)phenyl]urea?
The IUPAC name of [4-(benzylamino)phenyl]urea (CID 43744943) is [4-(benzylamino)phenyl]urea.
What is the SMILES notation for [4-(benzylamino)phenyl]urea?
The canonical SMILES for [4-(benzylamino)phenyl]urea is NC(=O)Nc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of [4-(benzylamino)phenyl]urea?
The InChIKey is IDTCVDAXOMGHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)17-13-8-6-12(7-9-13)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H3,15,17,18).
What are the key properties of [4-(benzylamino)phenyl]urea?
[4-(benzylamino)phenyl]urea has a molecular weight of 241.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylamino)phenyl]urea is sourced from PubChem (CID 43744943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).