1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea

C12H16F2N2O2 — CID 107302722

IUPAC1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)Nc1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c13-9-4-5-11(10(14)8-9)16-12(18)15-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7H2,(H2,15,16,18)
InChIKeyBPZZXDVNGTWSHB-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.25
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea

1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea (PubChem CID 107302722) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
PubChem CID107302722
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)Nc1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c13-9-4-5-11(10(14)8-9)16-12(18)15-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7H2,(H2,15,16,18)
InChIKeyBPZZXDVNGTWSHB-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea
CID 61343254
N'-(4-chloro-2-fluorophenyl)-N-(5-hydroxypentyl)oxamide
CID 124624749
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080
3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea (CID 107302722) is 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea is O=C(NCCCCCO)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea?
The InChIKey is BPZZXDVNGTWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-9-4-5-11(10(14)8-9)16-12(18)15-6-2-1-3-7-17/h4-5,8,17H,1-3,6-7H2,(H2,15,16,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea?
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea has a molecular weight of 258.27 g/mol, XLogP of 2.25, 6 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-(5-hydroxypentyl)urea is sourced from PubChem (CID 107302722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).