1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea

C14H17ClN2O3 — CID 22932413

IUPAC1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea
SMILESO=Cc1cc(NC(=O)NC2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C14H17ClN2O3/c15-12-7-11(6-9(8-18)13(12)19)17-14(20)16-10-4-2-1-3-5-10/h6-8,10,19H,1-5H2,(H2,16,17,20)
InChIKeyKLGYYMFGDNNNQC-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.31
Rot. Bonds3

About 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea

1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea (PubChem CID 22932413) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea
PubChem CID22932413
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea
SMILESO=Cc1cc(NC(=O)NC2CCCCC2)cc(Cl)c1O
InChIInChI=1S/C14H17ClN2O3/c15-12-7-11(6-9(8-18)13(12)19)17-14(20)16-10-4-2-1-3-5-10/h6-8,10,19H,1-5H2,(H2,16,17,20)
InChIKeyKLGYYMFGDNNNQC-UHFFFAOYSA-N
XLogP3.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871924
1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67521970
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 39184480
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-cyclohexylurea;1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 160802020

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea (CID 22932413) is 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea is O=Cc1cc(NC(=O)NC2CCCCC2)cc(Cl)c1O.
What is the InChIKey of 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea?
The InChIKey is KLGYYMFGDNNNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-12-7-11(6-9(8-18)13(12)19)17-14(20)16-10-4-2-1-3-5-10/h6-8,10,19H,1-5H2,(H2,16,17,20).
What are the key properties of 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea?
1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea has a molecular weight of 296.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea is sourced from PubChem (CID 22932413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).