N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide

C14H12F3N3O4 — CID 47072285

IUPACN-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)NCc1ccco1
InChIInChI=1S/C14H12F3N3O4/c15-14(16,17)11-6-9(20(22)23)3-4-12(11)18-8-13(21)19-7-10-2-1-5-24-10/h1-6,18H,7-8H2,(H,19,21)
InChIKeyWSDMEQGBSFOEAX-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.93
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide

N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide (PubChem CID 47072285) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
PubChem CID47072285
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC NameN-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)NCc1ccco1
InChIInChI=1S/C14H12F3N3O4/c15-14(16,17)11-6-9(20(22)23)3-4-12(11)18-8-13(21)19-7-10-2-1-5-24-10/h1-6,18H,7-8H2,(H,19,21)
InChIKeyWSDMEQGBSFOEAX-UHFFFAOYSA-N
XLogP2.93
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.93
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

N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
CID 78815640
2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 54935573
2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
CID 75379407
2-(furan-2-ylmethylamino)-5-nitrobenzoate
CID 7202536
2-(furan-2-ylmethylamino)-5-nitrobenzoic acid
CID 2725579
N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
CID 51245856
2-[4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 2914060
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6164649
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
N-[4-nitro-2-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
CID 7821087
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
2-cyano-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 83342973

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide (CID 47072285) is N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide is O=C(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
The InChIKey is WSDMEQGBSFOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c15-14(16,17)11-6-9(20(22)23)3-4-12(11)18-8-13(21)19-7-10-2-1-5-24-10/h1-6,18H,7-8H2,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide?
N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide has a molecular weight of 343.26 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 47072285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).