1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

C13H17FN2O2 — CID 62521940

IUPAC1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1(CO)CCCC1
InChIInChI=1S/C13H17FN2O2/c14-10-3-5-11(6-4-10)15-12(18)16-13(9-17)7-1-2-8-13/h3-6,17H,1-2,7-9H2,(H2,15,16,18)
InChIKeyZZYHJXCKFPUBPX-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 62521940) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID62521940
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1(CO)CCCC1
InChIInChI=1S/C13H17FN2O2/c14-10-3-5-11(6-4-10)15-12(18)16-13(9-17)7-1-2-8-13/h3-6,17H,1-2,7-9H2,(H2,15,16,18)
InChIKeyZZYHJXCKFPUBPX-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926057
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
1-[1-(hydroxymethyl)cyclopentyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111926476
1-(4-bromophenyl)-3-[4-(hydroxymethyl)oxan-4-yl]urea
CID 139532400
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 62521940) is 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is O=C(Nc1ccc(F)cc1)NC1(CO)CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is ZZYHJXCKFPUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-3-5-11(6-4-10)15-12(18)16-13(9-17)7-1-2-8-13/h3-6,17H,1-2,7-9H2,(H2,15,16,18).
What are the key properties of 1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 252.29 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-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 62521940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).