2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide

C15H14F2N2O3 — CID 14522756

IUPAC2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C15H14F2N2O3/c1-9(20)19-14(13-3-2-6-22-13)15(21)18-8-10-7-11(16)4-5-12(10)17/h2-7,14H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeySXBRZCOVAGUKJV-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.05
Rot. Bonds5

About 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide

2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide (PubChem CID 14522756) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide
PubChem CID14522756
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide
SMILESCC(=O)NC(C(=O)NCc1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C15H14F2N2O3/c1-9(20)19-14(13-3-2-6-22-13)15(21)18-8-10-7-11(16)4-5-12(10)17/h2-7,14H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeySXBRZCOVAGUKJV-UHFFFAOYSA-N
XLogP2.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)acetamide
CID 25031587
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
4-amino-N-[(2,5-difluorophenyl)methyl]-2-methylbutanamide
CID 80545149
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43312742
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
N-[(2,5-difluorophenyl)methyl]-3,3-dimethylbutanamide
CID 110780967
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide?
The IUPAC name of 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide (CID 14522756) is 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide?
The canonical SMILES for 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide is CC(=O)NC(C(=O)NCc1cc(F)ccc1F)c1ccco1.
What is the InChIKey of 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide?
The InChIKey is SXBRZCOVAGUKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-9(20)19-14(13-3-2-6-22-13)15(21)18-8-10-7-11(16)4-5-12(10)17/h2-7,14H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide?
2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide has a molecular weight of 308.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2,5-difluorophenyl)methyl]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 14522756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).