1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea

C13H18F2N2O2 — CID 103918695

IUPAC1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
SMILESO=C(NCCCCCCO)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c14-10-5-6-12(11(15)9-10)17-13(19)16-7-3-1-2-4-8-18/h5-6,9,18H,1-4,7-8H2,(H2,16,17,19)
InChIKeyBYTFUDXMVBGKBT-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.64
Rot. Bonds7

About 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea

1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea (PubChem CID 103918695) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
PubChem CID103918695
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
SMILESO=C(NCCCCCCO)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c14-10-5-6-12(11(15)9-10)17-13(19)16-7-3-1-2-4-8-18/h5-6,9,18H,1-4,7-8H2,(H2,16,17,19)
InChIKeyBYTFUDXMVBGKBT-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.64
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-(5-hydroxypentyl)urea
CID 107302722
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-(6-hydroxyhexyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea (CID 103918695) is 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea is O=C(NCCCCCCO)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea?
The InChIKey is BYTFUDXMVBGKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-10-5-6-12(11(15)9-10)17-13(19)16-7-3-1-2-4-8-18/h5-6,9,18H,1-4,7-8H2,(H2,16,17,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea?
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea has a molecular weight of 272.29 g/mol, XLogP of 2.64, 7 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-(6-hydroxyhexyl)urea is sourced from PubChem (CID 103918695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).