1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea

C15H21ClN2O2 — CID 90498971

IUPAC1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CCCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c16-12-7-4-8-13(9-12)18-15(20)17-10-14(19)11-5-2-1-3-6-11/h4,7-9,11,14,19H,1-3,5-6,10H2,(H2,17,18,20)
InChIKeyXDFSWWNGKBUJAQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea

1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea (PubChem CID 90498971) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
PubChem CID90498971
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CCCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c16-12-7-4-8-13(9-12)18-15(20)17-10-14(19)11-5-2-1-3-6-11/h4,7-9,11,14,19H,1-3,5-6,10H2,(H2,17,18,20)
InChIKeyXDFSWWNGKBUJAQ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292
N-(3-chlorophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetamide
CID 63298595
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-cyclohexyl-2-hydroxyethyl]urea
CID 95367592
1-(3-cyanophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 55168466
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
CID 61124429
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea (CID 90498971) is 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea is O=C(NCC(O)C1CCCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea?
The InChIKey is XDFSWWNGKBUJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-12-7-4-8-13(9-12)18-15(20)17-10-14(19)11-5-2-1-3-6-11/h4,7-9,11,14,19H,1-3,5-6,10H2,(H2,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea?
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea has a molecular weight of 296.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea is sourced from PubChem (CID 90498971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).