1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea

C12H17ClN2O2 — CID 113342006

IUPAC1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(O)C(C)(C)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(16)12(2,3)15-11(17)14-10-7-5-4-6-9(10)13/h4-8,16H,1-3H3,(H2,14,15,17)
InChIKeyNLVZUOYZEHSZJS-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.62
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea

1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 113342006) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea
PubChem CID113342006
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(O)C(C)(C)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(16)12(2,3)15-11(17)14-10-7-5-4-6-9(10)13/h4-8,16H,1-3H3,(H2,14,15,17)
InChIKeyNLVZUOYZEHSZJS-UHFFFAOYSA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-(2-chlorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376614
N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 732169
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62674288

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea (CID 113342006) is 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea is CC(O)C(C)(C)NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is NLVZUOYZEHSZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(16)12(2,3)15-11(17)14-10-7-5-4-6-9(10)13/h4-8,16H,1-3H3,(H2,14,15,17).
What are the key properties of 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea?
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 256.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 113342006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).