1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

C16H17BrN2O2 — CID 111452513

IUPAC1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESO=C(Nc1cccc(Br)c1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C16H17BrN2O2/c17-13-7-4-8-14(11-13)18-16(21)19-15(9-10-20)12-5-2-1-3-6-12/h1-8,11,15,20H,9-10H2,(H2,18,19,21)/t15-/m1/s1
InChIKeyYBNDKEVIOBNUEI-OAHLLOKOSA-N
MW349.23 g/mol
LogP3.69
Rot. Bonds5

About 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (PubChem CID 111452513) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
PubChem CID111452513
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESO=C(Nc1cccc(Br)c1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C16H17BrN2O2/c17-13-7-4-8-14(11-13)18-16(21)19-15(9-10-20)12-5-2-1-3-6-12/h1-8,11,15,20H,9-10H2,(H2,18,19,21)/t15-/m1/s1
InChIKeyYBNDKEVIOBNUEI-OAHLLOKOSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
1-(4-chloro-3-nitrophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452733
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
(2S)-2-[(3-bromophenyl)carbamoylamino]pentanedioic acid
CID 61190320
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840820
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (CID 111452513) is 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is O=C(Nc1cccc(Br)c1)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The InChIKey is YBNDKEVIOBNUEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-13-7-4-8-14(11-13)18-16(21)19-15(9-10-20)12-5-2-1-3-6-12/h1-8,11,15,20H,9-10H2,(H2,18,19,21)/t15-/m1/s1.
What are the key properties of 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea has a molecular weight of 349.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is sourced from PubChem (CID 111452513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).