1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea

C14H19ClN2O2 — CID 69012648

IUPAC1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)Nc1cccc(Cl)c1O
InChIInChI=1S/C14H19ClN2O2/c15-11-7-4-8-12(13(11)18)17-14(19)16-9-10-5-2-1-3-6-10/h4,7-8,10,18H,1-3,5-6,9H2,(H2,16,17,19)
InChIKeyHHUTXRJYMFYGRK-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.75
Rot. Bonds3

About 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea

1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea (PubChem CID 69012648) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
PubChem CID69012648
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)Nc1cccc(Cl)c1O
InChIInChI=1S/C14H19ClN2O2/c15-11-7-4-8-12(13(11)18)17-14(19)16-9-10-5-2-1-3-6-10/h4,7-8,10,18H,1-3,5-6,9H2,(H2,16,17,19)
InChIKeyHHUTXRJYMFYGRK-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Chloro-2-hydroxyphenyl)-N'-(3-(trifluoromethyl)phenyl)urea
CID 133058
1-{3-[(3,5-Dichlorobenzyl)amino]propyl}-3-(2-Hydroxyphenyl)urea
CID 60195181
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)(phenylamino)carboxamide
CID 10425549
Urea, 1-benzyl-3-(o-hydroxyphenyl)-
CID 200762
1-Butyl-1-(5-chloro-2-hydroxybenzyl)-3-phenylurea
CID 46229459
1-(5-Chloro-2-hydroxyphenyl)-3-phenylurea
CID 314241
1-Benzyl-1-butyl-3-(5-chloro-2-hydroxyphenyl)urea
CID 13732994
1,3-Bis(5-chloro-2-hydroxyphenyl)urea
CID 44281416
(3,5-Dichlorophenyl)methyl-[3-[(2-hydroxyphenyl)carbamoylamino]propyl]azanium
CID 117071921
N-(3-Chlorophenyl)-N'-(2-hydroxyphenyl)urea
CID 25269574
1,3-Bis(3,5-dichloro-2-hydroxyphenyl)urea
CID 44281409
1-(3-Chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110473513

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea (CID 69012648) is 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea is O=C(NCC1CCCCC1)Nc1cccc(Cl)c1O.
What is the InChIKey of 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea?
The InChIKey is HHUTXRJYMFYGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-7-4-8-12(13(11)18)17-14(19)16-9-10-5-2-1-3-6-10/h4,7-8,10,18H,1-3,5-6,9H2,(H2,16,17,19).
What are the key properties of 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea?
1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea has a molecular weight of 282.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 69012648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).