1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea

C18H22F2N2O3 — CID 87038251

IUPAC1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C18H22F2N2O3/c1-13(16-11-14(19)6-7-17(16)20)22(2)18(23)21-8-4-9-24-12-15-5-3-10-25-15/h3,5-7,10-11,13H,4,8-9,12H2,1-2H3,(H,21,23)
InChIKeySKIFSISUSHEUSB-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.87
Rot. Bonds8

About 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea

1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea (PubChem CID 87038251) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
PubChem CID87038251
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C18H22F2N2O3/c1-13(16-11-14(19)6-7-17(16)20)22(2)18(23)21-8-4-9-24-12-15-5-3-10-25-15/h3,5-7,10-11,13H,4,8-9,12H2,1-2H3,(H,21,23)
InChIKeySKIFSISUSHEUSB-UHFFFAOYSA-N
XLogP3.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
CID 87002732
N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 86996640
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 81296846
1-[2-(2,4-difluorophenoxy)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111787095
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
CID 94174512
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111307325
3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86914819
1-[2-(3-fluorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111503621

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
The IUPAC name of 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea (CID 87038251) is 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea is CC(c1cc(F)ccc1F)N(C)C(=O)NCCCOCc1ccco1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
The InChIKey is SKIFSISUSHEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-13(16-11-14(19)6-7-17(16)20)22(2)18(23)21-8-4-9-24-12-15-5-3-10-25-15/h3,5-7,10-11,13H,4,8-9,12H2,1-2H3,(H,21,23).
What are the key properties of 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea?
1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea has a molecular weight of 352.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea is sourced from PubChem (CID 87038251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).