1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea

C15H21ClN2O2 — CID 14458365

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
SMILESO=C(NCC(O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-12-8-6-11(7-9-12)14(19)10-17-15(20)18-13-4-2-1-3-5-13/h6-9,13-14,19H,1-5,10H2,(H2,17,18,20)
InChIKeyZNSPKUOQSPBYOU-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.01
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea (PubChem CID 14458365) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
PubChem CID14458365
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
SMILESO=C(NCC(O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-12-8-6-11(7-9-12)14(19)10-17-15(20)18-13-4-2-1-3-5-13/h6-9,13-14,19H,1-5,10H2,(H2,17,18,20)
InChIKeyZNSPKUOQSPBYOU-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106056
1-cyclopentyl-3-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 71803751
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 36976502
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 110887524
N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
CID 111477066
1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 95146791
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea (CID 14458365) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea is O=C(NCC(O)c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea?
The InChIKey is ZNSPKUOQSPBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-12-8-6-11(7-9-12)14(19)10-17-15(20)18-13-4-2-1-3-5-13/h6-9,13-14,19H,1-5,10H2,(H2,17,18,20).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea has a molecular weight of 296.80 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea is sourced from PubChem (CID 14458365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).