1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea

C15H15BrN2O2 — CID 71655407

IUPAC1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1ccc(Br)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c16-12-6-8-13(9-7-12)17-15(20)18-14(10-19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKeyYMRTUTUKSWKNHL-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea

1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 71655407) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID71655407
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1ccc(Br)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c16-12-6-8-13(9-7-12)17-15(20)18-14(10-19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKeyYMRTUTUKSWKNHL-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 96562726
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(2-methylsulfanylethyl)phenyl]urea
CID 111103769
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea (CID 71655407) is 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea is O=C(Nc1ccc(Br)cc1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is YMRTUTUKSWKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-6-8-13(9-7-12)17-15(20)18-14(10-19)11-4-2-1-3-5-11/h1-9,14,19H,10H2,(H2,17,18,20).
What are the key properties of 1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea?
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 335.20 g/mol, XLogP of 3.30, 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-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 71655407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).