1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea

C17H19BrN2O — CID 17217829

IUPAC1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-13(11-12-14-7-3-2-4-8-14)19-17(21)20-16-10-6-5-9-15(16)18/h2-10,13H,11-12H2,1H3,(H2,19,20,21)
InChIKeyRRKHOTHOPJEHFK-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.59
Rot. Bonds5

About 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea

1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea (PubChem CID 17217829) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
PubChem CID17217829
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-13(11-12-14-7-3-2-4-8-14)19-17(21)20-16-10-6-5-9-15(16)18/h2-10,13H,11-12H2,1H3,(H2,19,20,21)
InChIKeyRRKHOTHOPJEHFK-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)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

1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60603578
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
1-(2-chloro-5-methylsulfonylphenyl)-3-(4-phenylbutan-2-yl)urea
CID 51115168
(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191334
3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea (CID 17217829) is 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea is CC(CCc1ccccc1)NC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea?
The InChIKey is RRKHOTHOPJEHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-13(11-12-14-7-3-2-4-8-14)19-17(21)20-16-10-6-5-9-15(16)18/h2-10,13H,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea?
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea has a molecular weight of 347.26 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 17217829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).