N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide

C16H16F2N2O4 — CID 86996640

IUPACN'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O4/c17-11-4-5-14(13(18)9-11)20-16(22)15(21)19-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9H,2,6-7,10H2,(H,19,21)(H,20,22)
InChIKeyJWEOHDYLUZGEIS-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.22
Rot. Bonds7

About N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide

N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide (PubChem CID 86996640) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
PubChem CID86996640
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC NameN'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O4/c17-11-4-5-14(13(18)9-11)20-16(22)15(21)19-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9H,2,6-7,10H2,(H,19,21)(H,20,22)
InChIKeyJWEOHDYLUZGEIS-UHFFFAOYSA-N
XLogP2.22
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 87039475
N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 86996641
1-[2-(2,4-difluorophenoxy)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111787095
N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
CID 86996645
1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
CID 87038251
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide
CID 86921329
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47147953
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide (CID 86996640) is N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide is O=C(NCCCOCc1ccco1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
The InChIKey is JWEOHDYLUZGEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c17-11-4-5-14(13(18)9-11)20-16(22)15(21)19-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9H,2,6-7,10H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide?
N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide has a molecular weight of 338.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide is sourced from PubChem (CID 86996640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).