1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea

C16H16BrN3O2 — CID 24818621

IUPAC1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea
SMILESO=C(CCc1ccccc1)NNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O2/c17-13-7-9-14(10-8-13)18-16(22)20-19-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21)(H2,18,20,22)
InChIKeyCPQKJTFMMLUTMG-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea

1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea (PubChem CID 24818621) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea
PubChem CID24818621
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea
SMILESO=C(CCc1ccccc1)NNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O2/c17-13-7-9-14(10-8-13)18-16(22)20-19-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21)(H2,18,20,22)
InChIKeyCPQKJTFMMLUTMG-UHFFFAOYSA-N
XLogP3.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.23
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-(4-bromophenyl)-3-[3-(3,4-dihydroxyphenyl)propanoylamino]urea
CID 17388380
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea
CID 3123939
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide
CID 164670401
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
N-[4-[(3-phenylpropanoylamino)carbamoyl]phenyl]propanamide
CID 600576
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
N-[5-[(4-bromophenyl)methylamino]-2-fluorophenyl]-3-phenylpropanamide
CID 163286469
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea (CID 24818621) is 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea is O=C(CCc1ccccc1)NNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea?
The InChIKey is CPQKJTFMMLUTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-13-7-9-14(10-8-13)18-16(22)20-19-15(21)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea?
1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea has a molecular weight of 362.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea is sourced from PubChem (CID 24818621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).