1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea

C12H17ClN2O2 — CID 95155199

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESCc1cc(C)c(NC(=O)N[C@H](C)CO)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-7-4-8(2)11(10(13)5-7)15-12(17)14-9(3)6-16/h4-5,9,16H,6H2,1-3H3,(H2,14,15,17)/t9-/m1/s1
InChIKeyPCENUBKNATZAIJ-SECBINFHSA-N
MW256.73 g/mol
LogP2.46
Rot. Bonds3

About 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea (PubChem CID 95155199) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
PubChem CID95155199
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESCc1cc(C)c(NC(=O)N[C@H](C)CO)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-7-4-8(2)11(10(13)5-7)15-12(17)14-9(3)6-16/h4-5,9,16H,6H2,1-3H3,(H2,14,15,17)/t9-/m1/s1
InChIKeyPCENUBKNATZAIJ-SECBINFHSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea
CID 51928207
1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110908088
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914830
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
(2S)-3-hydroxy-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 61181326
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea (CID 95155199) is 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea is Cc1cc(C)c(NC(=O)N[C@H](C)CO)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
The InChIKey is PCENUBKNATZAIJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7-4-8(2)11(10(13)5-7)15-12(17)14-9(3)6-16/h4-5,9,16H,6H2,1-3H3,(H2,14,15,17)/t9-/m1/s1.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea has a molecular weight of 256.73 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 95155199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).