1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea

C13H19BrN2O2 — CID 111754119

IUPAC1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-3-8-13(2,9-17)16-12(18)15-11-6-4-10(14)5-7-11/h4-7,17H,3,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyOADNOGRQIZWNAV-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea

1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea (PubChem CID 111754119) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
PubChem CID111754119
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-3-8-13(2,9-17)16-12(18)15-11-6-4-10(14)5-7-11/h4-7,17H,3,8-9H2,1-2H3,(H2,15,16,18)
InChIKeyOADNOGRQIZWNAV-UHFFFAOYSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea
CID 111925797
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754639
1-(6-chloro-3-pyridinyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111630107
1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71924647
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111926171
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
2-[(4-bromophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 79803571
1-(4-bromophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 71672109
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111926711

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea (CID 111754119) is 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea is CCCC(C)(CO)NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
The InChIKey is OADNOGRQIZWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-8-13(2,9-17)16-12(18)15-11-6-4-10(14)5-7-11/h4-7,17H,3,8-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea?
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea has a molecular weight of 315.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea is sourced from PubChem (CID 111754119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).