1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea

C13H17BrN2O2 — CID 110309093

IUPAC1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea
SMILESCC(O)(CNC(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c1-13(18,9-2-4-10(14)5-3-9)8-15-12(17)16-11-6-7-11/h2-5,11,18H,6-8H2,1H3,(H2,15,16,17)
InChIKeyCKHFTJJPXQRVFI-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea

1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea (PubChem CID 110309093) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea
PubChem CID110309093
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea
SMILESCC(O)(CNC(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c1-13(18,9-2-4-10(14)5-3-9)8-15-12(17)16-11-6-7-11/h2-5,11,18H,6-8H2,1H3,(H2,15,16,17)
InChIKeyCKHFTJJPXQRVFI-UHFFFAOYSA-N
XLogP2.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676018
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-(oxan-4-yl)urea
CID 100676004
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(thian-3-yl)urea
CID 75433753
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 110291633
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291
1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea?
The IUPAC name of 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea (CID 110309093) is 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea is CC(O)(CNC(=O)NC1CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea?
The InChIKey is CKHFTJJPXQRVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(18,9-2-4-10(14)5-3-9)8-15-12(17)16-11-6-7-11/h2-5,11,18H,6-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea?
1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea has a molecular weight of 313.19 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea is sourced from PubChem (CID 110309093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).