1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea

C18H19ClN2O2 — CID 95379625

IUPAC1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c19-15-8-4-5-9-16(15)21-17(22)20-12-18(23,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H2,20,21,22)/t18-/m1/s1
InChIKeyJSQIOKAEFQQJPX-GOSISDBHSA-N
MW330.82 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea

1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea (PubChem CID 95379625) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
PubChem CID95379625
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c19-15-8-4-5-9-16(15)21-17(22)20-12-18(23,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H2,20,21,22)/t18-/m1/s1
InChIKeyJSQIOKAEFQQJPX-GOSISDBHSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
4-[(2-chlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001350
1-(2-chlorophenyl)-3-[[(1S,3S)-3-[[(2-chlorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27138030
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829
3-(2-bromophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]propanamide
CID 99983094
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558
(2S)-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-phenoxypropanamide
CID 95379382
4-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-nitrobenzamide
CID 90535442
2-cyclopentylsulfanyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)acetamide
CID 71806388

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea (CID 95379625) is 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea is O=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea?
The InChIKey is JSQIOKAEFQQJPX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-8-4-5-9-16(15)21-17(22)20-12-18(23,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,23H,10-12H2,(H2,20,21,22)/t18-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea?
1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea has a molecular weight of 330.82 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 95379625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).