N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide

C13H12FN3O4 — CID 43778935

IUPACN-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H12FN3O4/c1-8(18)16-9-2-4-11(14)12(6-9)15-7-10-3-5-13(21-10)17(19)20/h2-6,15H,7H2,1H3,(H,16,18)
InChIKeyFJNKOFBLKDLUPX-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.90
Rot. Bonds5

About N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide

N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide (PubChem CID 43778935) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide
PubChem CID43778935
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC NameN-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C13H12FN3O4/c1-8(18)16-9-2-4-11(14)12(6-9)15-7-10-3-5-13(21-10)17(19)20/h2-6,15H,7H2,1H3,(H,16,18)
InChIKeyFJNKOFBLKDLUPX-UHFFFAOYSA-N
XLogP2.90
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43781200
2,3,5-trifluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 62811041
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
2-bromo-5-chloro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 81271060
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43780630
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067729
4-ethyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43764272

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide (CID 43778935) is N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide?
The InChIKey is FJNKOFBLKDLUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c1-8(18)16-9-2-4-11(14)12(6-9)15-7-10-3-5-13(21-10)17(19)20/h2-6,15H,7H2,1H3,(H,16,18).
What are the key properties of N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide?
N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide has a molecular weight of 293.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43778935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).