1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea

C13H16F2N2O2 — CID 103710023

IUPAC1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCCC1CO
InChIInChI=1S/C13H16F2N2O2/c14-9-4-5-12(10(15)6-9)17-13(19)16-11-3-1-2-8(11)7-18/h4-6,8,11,18H,1-3,7H2,(H2,16,17,19)
InChIKeyCHPRFEPKEDCKPX-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea

1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea (PubChem CID 103710023) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
PubChem CID103710023
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCCC1CO
InChIInChI=1S/C13H16F2N2O2/c14-9-4-5-12(10(15)6-9)17-13(19)16-11-3-1-2-8(11)7-18/h4-6,8,11,18H,1-3,7H2,(H2,16,17,19)
InChIKeyCHPRFEPKEDCKPX-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111926835
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
1-(2-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 62956599
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103709932
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816695
1-(4-ethoxy-2-methylphenyl)-3-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525276
1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525275
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea (CID 103710023) is 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea is O=C(Nc1ccc(F)cc1F)NC1CCCC1CO.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is CHPRFEPKEDCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-9-4-5-12(10(15)6-9)17-13(19)16-11-3-1-2-8(11)7-18/h4-6,8,11,18H,1-3,7H2,(H2,16,17,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 270.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 103710023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).