1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

C13H16F2N2O2 — CID 61238526

IUPAC1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-9-3-4-11(10(15)7-9)17-12(18)16-8-13(19)5-1-2-6-13/h3-4,7,19H,1-2,5-6,8H2,(H2,16,17,18)
InChIKeyRFOSRHZDHMURPD-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 61238526) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID61238526
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-9-3-4-11(10(15)7-9)17-12(18)16-8-13(19)5-1-2-6-13/h3-4,7,19H,1-2,5-6,8H2,(H2,16,17,18)
InChIKeyRFOSRHZDHMURPD-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
CID 61298666
2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81165102
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111453694
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
1-(2,4-difluorophenyl)-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107268642

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 61238526) is 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1(O)CCCC1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is RFOSRHZDHMURPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-9-3-4-11(10(15)7-9)17-12(18)16-8-13(19)5-1-2-6-13/h3-4,7,19H,1-2,5-6,8H2,(H2,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 270.28 g/mol, XLogP of 2.39, 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-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 61238526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).