1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea

C16H17BrN2O2 — CID 60603723

IUPAC1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(15(20)12-7-9-13(17)10-8-12)18-16(21)19-14-5-3-2-4-6-14/h2-11,15,20H,1H3,(H2,18,19,21)
InChIKeyCWAIKXIYTZAAJV-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.69
Rot. Bonds4

About 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea

1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea (PubChem CID 60603723) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea
PubChem CID60603723
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(15(20)12-7-9-13(17)10-8-12)18-16(21)19-14-5-3-2-4-6-14/h2-11,15,20H,1H3,(H2,18,19,21)
InChIKeyCWAIKXIYTZAAJV-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide
CID 119035408
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
1-(4-acetylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111115072
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 26008081
tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
CID 170565111
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-but-3-yn-2-yl-3-phenylurea
CID 114419037

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea (CID 60603723) is 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea is CC(NC(=O)Nc1ccccc1)C(O)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea?
The InChIKey is CWAIKXIYTZAAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(15(20)12-7-9-13(17)10-8-12)18-16(21)19-14-5-3-2-4-6-14/h2-11,15,20H,1H3,(H2,18,19,21).
What are the key properties of 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea?
1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea has a molecular weight of 349.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea is sourced from PubChem (CID 60603723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).