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

C16H17BrN2O — CID 3395265

IUPAC1-(4-bromophenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-2-15(12-6-4-3-5-7-12)19-16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,2H2,1H3,(H2,18,19,20)
InChIKeyGMVJUMCJNMNYNZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.72
Rot. Bonds4

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

1-(4-bromophenyl)-3-(1-phenylpropyl)urea (PubChem CID 3395265) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-phenylpropyl)urea
PubChem CID3395265
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(4-bromophenyl)-3-(1-phenylpropyl)urea
SMILESCCC(NC(=O)Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-2-15(12-6-4-3-5-7-12)19-16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,2H2,1H3,(H2,18,19,20)
InChIKeyGMVJUMCJNMNYNZ-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
1-(2,6-dibromo-4-propan-2-ylphenyl)-3-(1-phenylpropyl)urea
CID 3807408
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-phenylpropyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(1-phenylpropyl)urea (CID 3395265) is 1-(4-bromophenyl)-3-(1-phenylpropyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-phenylpropyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-phenylpropyl)urea is CCC(NC(=O)Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-phenylpropyl)urea?
The InChIKey is GMVJUMCJNMNYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-2-15(12-6-4-3-5-7-12)19-16(20)18-14-10-8-13(17)9-11-14/h3-11,15H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-bromophenyl)-3-(1-phenylpropyl)urea?
1-(4-bromophenyl)-3-(1-phenylpropyl)urea has a molecular weight of 333.23 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-phenylpropyl)urea is sourced from PubChem (CID 3395265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).