1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

C12H15ClN2O2 — CID 63237292

IUPAC1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c13-9-3-5-10(6-4-9)15-12(17)14-7-11(16)8-1-2-8/h3-6,8,11,16H,1-2,7H2,(H2,14,15,17)
InChIKeyGDSIDBZAPFLYGJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.23
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea

1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (PubChem CID 63237292) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
PubChem CID63237292
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c13-9-3-5-10(6-4-9)15-12(17)14-7-11(16)8-1-2-8/h3-6,8,11,16H,1-2,7H2,(H2,14,15,17)
InChIKeyGDSIDBZAPFLYGJ-UHFFFAOYSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
CID 63294733
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
CID 63237113
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(3-cyclopropyl-3-hydroxypropyl)-3-(4-fluorophenyl)urea
CID 71787548
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-cyclohexyl-2-hydroxyethyl]urea
CID 95367592
4-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066307

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea (CID 63237292) is 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is O=C(NCC(O)C1CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The InChIKey is GDSIDBZAPFLYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-3-5-10(6-4-9)15-12(17)14-7-11(16)8-1-2-8/h3-6,8,11,16H,1-2,7H2,(H2,14,15,17).
What are the key properties of 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea?
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea has a molecular weight of 254.72 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea is sourced from PubChem (CID 63237292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).