1-(4-aminophenyl)-1-benzylurea

C14H15N3O — CID 154248103

IUPAC1-(4-aminophenyl)-1-benzylurea
SMILESNC(=O)N(Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C14H15N3O/c15-12-6-8-13(9-7-12)17(14(16)18)10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,18)
InChIKeyYNINTPNYFJAPKI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.35
Rot. Bonds3

About 1-(4-aminophenyl)-1-benzylurea

1-(4-aminophenyl)-1-benzylurea (PubChem CID 154248103) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1-benzylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-1-benzylurea
PubChem CID154248103
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(4-aminophenyl)-1-benzylurea
SMILESNC(=O)N(Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C14H15N3O/c15-12-6-8-13(9-7-12)17(14(16)18)10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,18)
InChIKeyYNINTPNYFJAPKI-UHFFFAOYSA-N
XLogP2.35
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-benzylcarbamic acid
CID 69046621
3-[(N-carbamoylanilino)methyl]benzoic acid
CID 67799196
1-benzyl-1-(2-bromophenyl)urea
CID 102405499
2-(4-amino-N-phenylmethoxycarbonylanilino)acetic acid
CID 18919523
1-(2H-isoindol-5-ylmethyl)-1-phenylurea
CID 91359085
N-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90105203
2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694
1-benzyl-1-(3,3-dimethyl-2-oxo-1H-indol-6-yl)urea
CID 150287144
1-benzyl-1-chlorourea
CID 23442758
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-1-benzylurea?
The IUPAC name of 1-(4-aminophenyl)-1-benzylurea (CID 154248103) is 1-(4-aminophenyl)-1-benzylurea.
What is the SMILES notation for 1-(4-aminophenyl)-1-benzylurea?
The canonical SMILES for 1-(4-aminophenyl)-1-benzylurea is NC(=O)N(Cc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-1-benzylurea?
The InChIKey is YNINTPNYFJAPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-12-6-8-13(9-7-12)17(14(16)18)10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,18).
What are the key properties of 1-(4-aminophenyl)-1-benzylurea?
1-(4-aminophenyl)-1-benzylurea has a molecular weight of 241.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1-benzylurea is sourced from PubChem (CID 154248103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).