1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea

C14H19ClN2O2 — CID 103716143

IUPAC1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCCC1CO
InChIInChI=1S/C14H19ClN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-13-4-2-1-3-10(13)9-18/h5-8,10,13,18H,1-4,9H2,(H2,16,17,19)
InChIKeyIPOBUGCKXUFOCD-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea

1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea (PubChem CID 103716143) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
PubChem CID103716143
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCCC1CO
InChIInChI=1S/C14H19ClN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-13-4-2-1-3-10(13)9-18/h5-8,10,13,18H,1-4,9H2,(H2,16,17,19)
InChIKeyIPOBUGCKXUFOCD-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]urea
CID 98285792
1-(3-chloro-4-cyanophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636109
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
N-(4-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 106360931
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103709932
1-[4-(2-cyanopropan-2-yl)phenyl]-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525263
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 96569829
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
1-[2-(hydroxymethyl)cyclohexyl]-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840817
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 143174173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea (CID 103716143) is 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCCCC1CO.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is IPOBUGCKXUFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-5-7-12(8-6-11)16-14(19)17-13-4-2-1-3-10(13)9-18/h5-8,10,13,18H,1-4,9H2,(H2,16,17,19).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea?
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 282.77 g/mol, XLogP of 3.01, 3 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-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 103716143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).