1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

C13H19ClN2O2 — CID 111452596

IUPAC1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCc1cc(Cl)ccc1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C13H19ClN2O2/c1-8-6-11(14)4-5-12(8)16-13(18)15-10(3)9(2)7-17/h4-6,9-10,17H,7H2,1-3H3,(H2,15,16,18)
InChIKeyAEXVWMARPSYWMT-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111452596) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111452596
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCc1cc(Cl)ccc1NC(=O)NC(C)C(C)CO
InChIInChI=1S/C13H19ClN2O2/c1-8-6-11(14)4-5-12(8)16-13(18)15-10(3)9(2)7-17/h4-6,9-10,17H,7H2,1-3H3,(H2,15,16,18)
InChIKeyAEXVWMARPSYWMT-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
1-(2-chloro-4-fluorophenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452646
1-(2,5-difluorophenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452639
1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116733
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 115734976
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696419

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 111452596) is 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is Cc1cc(Cl)ccc1NC(=O)NC(C)C(C)CO.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is AEXVWMARPSYWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8-6-11(14)4-5-12(8)16-13(18)15-10(3)9(2)7-17/h4-6,9-10,17H,7H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 270.76 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111452596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).