N-(3,5-difluoro-4-nitrophenyl)formamide

C7H4F2N2O3 — CID 168653393

IUPACN-(3,5-difluoro-4-nitrophenyl)formamide
SMILESO=CNc1cc(F)c([N+](=O)[O-])c(F)c1
InChIInChI=1S/C7H4F2N2O3/c8-5-1-4(10-3-12)2-6(9)7(5)11(13)14/h1-3H,(H,10,12)
InChIKeyQYAAICBHESRYFG-UHFFFAOYSA-N
MW202.12 g/mol
LogP1.44
Rot. Bonds3

About N-(3,5-difluoro-4-nitrophenyl)formamide

N-(3,5-difluoro-4-nitrophenyl)formamide (PubChem CID 168653393) has the molecular formula C7H4F2N2O3 and a molecular weight of 202.12 g/mol. Its IUPAC name is N-(3,5-difluoro-4-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-nitrophenyl)formamide
PubChem CID168653393
Molecular FormulaC7H4F2N2O3
Molecular Weight202.12 g/mol
Exact Mass202.02
IUPAC NameN-(3,5-difluoro-4-nitrophenyl)formamide
SMILESO=CNc1cc(F)c([N+](=O)[O-])c(F)c1
InChIInChI=1S/C7H4F2N2O3/c8-5-1-4(10-3-12)2-6(9)7(5)11(13)14/h1-3H,(H,10,12)
InChIKeyQYAAICBHESRYFG-UHFFFAOYSA-N
XLogP1.44
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3,5-difluoro-4-nitrophenyl)thiourea
CID 169357961
N-(3,5-diformamidophenyl)formamide
CID 87263269
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide
CID 168651397
5-(3-chloroprop-1-enyl)-1,3-difluoro-2-nitrobenzene
CID 169477951
3,5-difluoro-4-nitrophenol;3,5-difluorophenol;methane
CID 145166626
1,3-dinitrobenzene;N-(3-methylphenyl)formamide
CID 174339659
5-formamido-2-hydroxy-3-nitrobenzoic acid
CID 168653535
4-(3,5-difluoro-4-nitrophenyl)but-3-en-1-ol
CID 170477214
N-(3-chloro-5-fluoro-4-methoxyphenyl)formamide
CID 168654188
N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
CID 168650974
1,3-difluoro-5-iodo-2,4-dinitrobenzene
CID 87535078
1,2,4-trifluoro-5-methyl-3-nitrobenzene
CID 23616418

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-nitrophenyl)formamide?
The IUPAC name of N-(3,5-difluoro-4-nitrophenyl)formamide (CID 168653393) is N-(3,5-difluoro-4-nitrophenyl)formamide.
What is the SMILES notation for N-(3,5-difluoro-4-nitrophenyl)formamide?
The canonical SMILES for N-(3,5-difluoro-4-nitrophenyl)formamide is O=CNc1cc(F)c([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(3,5-difluoro-4-nitrophenyl)formamide?
The InChIKey is QYAAICBHESRYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O3/c8-5-1-4(10-3-12)2-6(9)7(5)11(13)14/h1-3H,(H,10,12).
What are the key properties of N-(3,5-difluoro-4-nitrophenyl)formamide?
N-(3,5-difluoro-4-nitrophenyl)formamide has a molecular weight of 202.12 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-nitrophenyl)formamide is sourced from PubChem (CID 168653393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).