1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea

C11H14Cl2N2O2 — CID 110908088

IUPAC1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCc1c(Cl)cc(NC(=O)NC(C)CO)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-6(5-16)14-11(17)15-8-3-9(12)7(2)10(13)4-8/h3-4,6,16H,5H2,1-2H3,(H2,14,15,17)
InChIKeyAWWHSPYOCMAFJK-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.80
Rot. Bonds3

About 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea

1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110908088) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID110908088
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCc1c(Cl)cc(NC(=O)NC(C)CO)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-6(5-16)14-11(17)15-8-3-9(12)7(2)10(13)4-8/h3-4,6,16H,5H2,1-2H3,(H2,14,15,17)
InChIKeyAWWHSPYOCMAFJK-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 95155199
1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99833156
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111617573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea (CID 110908088) is 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea is Cc1c(Cl)cc(NC(=O)NC(C)CO)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is AWWHSPYOCMAFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-6(5-16)14-11(17)15-8-3-9(12)7(2)10(13)4-8/h3-4,6,16H,5H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea?
1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 277.15 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methylphenyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110908088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).