1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea

C12H16BrClN2O2 — CID 97320276

IUPAC1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
SMILESC[C@H](CCO)CNC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16BrClN2O2/c1-8(4-5-17)7-15-12(18)16-9-2-3-11(14)10(13)6-9/h2-3,6,8,17H,4-5,7H2,1H3,(H2,15,16,18)/t8-/m1/s1
InChIKeyHBTFZGXBCQUPGZ-MRVPVSSYSA-N
MW335.63 g/mol
LogP3.24
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea

1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea (PubChem CID 97320276) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
PubChem CID97320276
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
SMILESC[C@H](CCO)CNC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16BrClN2O2/c1-8(4-5-17)7-15-12(18)16-9-2-3-11(14)10(13)6-9/h2-3,6,8,17H,4-5,7H2,1H3,(H2,15,16,18)/t8-/m1/s1
InChIKeyHBTFZGXBCQUPGZ-MRVPVSSYSA-N
XLogP3.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-nitrophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473100
1-(3-bromo-4-chlorophenyl)-3-[(2R)-2-hydroxy-3-methoxypropyl]urea
CID 97054291
1-(3-bromo-4-chlorophenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 97054292
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
CID 111473777
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
CID 111474667
1-(3-cyano-4-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474619
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea (CID 97320276) is 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea is C[C@H](CCO)CNC(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
The InChIKey is HBTFZGXBCQUPGZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-8(4-5-17)7-15-12(18)16-9-2-3-11(14)10(13)6-9/h2-3,6,8,17H,4-5,7H2,1H3,(H2,15,16,18)/t8-/m1/s1.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea has a molecular weight of 335.63 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea is sourced from PubChem (CID 97320276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).