1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea

C15H21FN2O3 — CID 110900571

IUPAC1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCOc1ccc(NC(=O)NC2CCC(O)CC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-2-21-14-8-5-11(9-13(14)16)18-15(20)17-10-3-6-12(19)7-4-10/h5,8-10,12,19H,2-4,6-7H2,1H3,(H2,17,18,20)
InChIKeyVPRXGWJTCAADOZ-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.65
Rot. Bonds4

About 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea

1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 110900571) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID110900571
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCOc1ccc(NC(=O)NC2CCC(O)CC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-2-21-14-8-5-11(9-13(14)16)18-15(20)17-10-3-6-12(19)7-4-10/h5,8-10,12,19H,2-4,6-7H2,1H3,(H2,17,18,20)
InChIKeyVPRXGWJTCAADOZ-UHFFFAOYSA-N
XLogP2.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[3-[(4-ethoxy-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122077250
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688900
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
ethyl 2-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]acetate
CID 72940252
2-[(4-ethoxy-3-fluorophenyl)carbamoylamino]butanoic acid
CID 103996497
2-(4-aminopiperidin-1-yl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738459
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea (CID 110900571) is 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea is CCOc1ccc(NC(=O)NC2CCC(O)CC2)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is VPRXGWJTCAADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-2-21-14-8-5-11(9-13(14)16)18-15(20)17-10-3-6-12(19)7-4-10/h5,8-10,12,19H,2-4,6-7H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea?
1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 296.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110900571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).