N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide

C13H11F2NO2 — CID 53016301

IUPACN-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H11F2NO2/c1-9(17)16(8-13-3-2-4-18-13)12-6-10(14)5-11(15)7-12/h2-7H,8H2,1H3
InChIKeyYYVALEVYJDNREZ-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.11
Rot. Bonds3

About N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide

N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 53016301) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID53016301
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC NameN-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H11F2NO2/c1-9(17)16(8-13-3-2-4-18-13)12-6-10(14)5-11(15)7-12/h2-7H,8H2,1H3
InChIKeyYYVALEVYJDNREZ-UHFFFAOYSA-N
XLogP3.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[acetyl(furan-2-ylmethyl)amino]benzoic acid
CID 39359965
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide
CID 75461687
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 114014604
[3-[cyclopropyl(furan-2-ylmethyl)amino]-5-fluorophenyl]methanol
CID 106529823
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
CID 39351607
(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52534875
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30709572
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride
CID 117048691
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
CID 61423708

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide (CID 53016301) is N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide is CC(=O)N(Cc1ccco1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YYVALEVYJDNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-9(17)16(8-13-3-2-4-18-13)12-6-10(14)5-11(15)7-12/h2-7H,8H2,1H3.
What are the key properties of N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide?
N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 251.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53016301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).