N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide

C8H7FN2O4 — CID 168650974

IUPACN-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
SMILESCOc1cc([N+](=O)[O-])c(F)cc1NC=O
InChIInChI=1S/C8H7FN2O4/c1-15-8-3-7(11(13)14)5(9)2-6(8)10-4-12/h2-4H,1H3,(H,10,12)
InChIKeySUHSUTIDDRFEIL-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.31
Rot. Bonds4

About N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide

N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide (PubChem CID 168650974) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
PubChem CID168650974
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC NameN-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
SMILESCOc1cc([N+](=O)[O-])c(F)cc1NC=O
InChIInChI=1S/C8H7FN2O4/c1-15-8-3-7(11(13)14)5(9)2-6(8)10-4-12/h2-4H,1H3,(H,10,12)
InChIKeySUHSUTIDDRFEIL-UHFFFAOYSA-N
XLogP1.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methoxy-2-methyl-4-nitrophenyl)formamide
CID 168654239
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
CID 131610488
2-[(5-fluoro-4-methoxy-2-nitroanilino)methylidene]propanedinitrile
CID 168545035
N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide
CID 121269095
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide
CID 168651397
methyl 4-fluoro-2-formyl-5-nitrobenzoate
CID 171010714
2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341455
N-[(4,5-dimethoxy-2-nitrophenyl)-formamidomethyl]formamide
CID 121223924
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide
CID 58622923

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide?
The IUPAC name of N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide (CID 168650974) is N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide.
What is the SMILES notation for N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide?
The canonical SMILES for N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide is COc1cc([N+](=O)[O-])c(F)cc1NC=O.
What is the InChIKey of N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide?
The InChIKey is SUHSUTIDDRFEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O4/c1-15-8-3-7(11(13)14)5(9)2-6(8)10-4-12/h2-4H,1H3,(H,10,12).
What are the key properties of N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide?
N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide has a molecular weight of 214.15 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide is sourced from PubChem (CID 168650974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).