1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea

C13H15F3N2O2 — CID 111926557

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)c(F)c1)NC1(CO)CCCC1
InChIInChI=1S/C13H15F3N2O2/c14-9-5-8(6-10(15)11(9)16)17-12(20)18-13(7-19)3-1-2-4-13/h5-6,19H,1-4,7H2,(H2,17,18,20)
InChIKeyWWRNBNOENQUKHL-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.53
Rot. Bonds3

About 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea

1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea (PubChem CID 111926557) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
PubChem CID111926557
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1cc(F)c(F)c(F)c1)NC1(CO)CCCC1
InChIInChI=1S/C13H15F3N2O2/c14-9-5-8(6-10(15)11(9)16)17-12(20)18-13(7-19)3-1-2-4-13/h5-6,19H,1-4,7H2,(H2,17,18,20)
InChIKeyWWRNBNOENQUKHL-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926057
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-[(3,5-difluoro-4-methoxyphenyl)carbamoylamino]cyclobutyl]acetamide
CID 126839183
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea (CID 111926557) is 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea is O=C(Nc1cc(F)c(F)c(F)c1)NC1(CO)CCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea?
The InChIKey is WWRNBNOENQUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-9-5-8(6-10(15)11(9)16)17-12(20)18-13(7-19)3-1-2-4-13/h5-6,19H,1-4,7H2,(H2,17,18,20).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea?
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea has a molecular weight of 288.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea is sourced from PubChem (CID 111926557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).