2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide

C14H14FN3O5 — CID 75379407

IUPAC2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H14FN3O5/c1-22-13-6-11(12(18(20)21)5-10(13)15)16-8-14(19)17-7-9-3-2-4-23-9/h2-6,16H,7-8H2,1H3,(H,17,19)
InChIKeyFXOLSFDRAZVIPY-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.06
Rot. Bonds7

About 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide

2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 75379407) has the molecular formula C14H14FN3O5 and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID75379407
Molecular FormulaC14H14FN3O5
Molecular Weight323.28 g/mol
Exact Mass323.09
IUPAC Name2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H14FN3O5/c1-22-13-6-11(12(18(20)21)5-10(13)15)16-8-14(19)17-7-9-3-2-4-23-9/h2-6,16H,7-8H2,1H3,(H,17,19)
InChIKeyFXOLSFDRAZVIPY-UHFFFAOYSA-N
XLogP2.06
TPSA106.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
CID 78815640
methyl 5-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-nitrobenzoate
CID 36585024
N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 47072285
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide
CID 31638717
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
CID 86802918
N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
CID 51245856
4-fluoro-5-methoxy-2-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 133374248
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
N-[(4-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 4831855
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide (CID 75379407) is 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide is COc1cc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FXOLSFDRAZVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O5/c1-22-13-6-11(12(18(20)21)5-10(13)15)16-8-14(19)17-7-9-3-2-4-23-9/h2-6,16H,7-8H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide?
2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 323.28 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 75379407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).