1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea

C13H18F2N2O2 — CID 86871522

IUPAC1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
SMILESCOCCCCCNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-19-9-4-2-3-8-16-13(18)17-11-7-5-6-10(14)12(11)15/h5-7H,2-4,8-9H2,1H3,(H2,16,17,18)
InChIKeyQHYQFCDPPPUDKT-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.90
Rot. Bonds7

About 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea

1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea (PubChem CID 86871522) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
PubChem CID86871522
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
SMILESCOCCCCCNC(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-19-9-4-2-3-8-16-13(18)17-11-7-5-6-10(14)12(11)15/h5-7H,2-4,8-9H2,1H3,(H2,16,17,18)
InChIKeyQHYQFCDPPPUDKT-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
CID 86871424
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
CID 86856275
4,5-difluoro-2-(3-methoxypropylcarbamoylamino)benzoic acid
CID 62866805
4-[(2-fluoro-3-methoxycarbonylphenyl)carbamoylamino]butanoic acid
CID 122095047

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea (CID 86871522) is 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea is COCCCCCNC(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea?
The InChIKey is QHYQFCDPPPUDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-19-9-4-2-3-8-16-13(18)17-11-7-5-6-10(14)12(11)15/h5-7H,2-4,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea?
1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea has a molecular weight of 272.29 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea is sourced from PubChem (CID 86871522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).