4-(3-fluoro-2-nitrophenyl)but-3-enamide

C10H9FN2O3 — CID 170798325

IUPAC4-(3-fluoro-2-nitrophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H9FN2O3/c11-8-5-1-3-7(10(8)13(15)16)4-2-6-9(12)14/h1-5H,6H2,(H2,12,14)
InChIKeyARDZMVVVDSLJBD-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.62
Rot. Bonds4

About 4-(3-fluoro-2-nitrophenyl)but-3-enamide

4-(3-fluoro-2-nitrophenyl)but-3-enamide (PubChem CID 170798325) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 4-(3-fluoro-2-nitrophenyl)but-3-enamide.

Molecular Properties

Compound Name4-(3-fluoro-2-nitrophenyl)but-3-enamide
PubChem CID170798325
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name4-(3-fluoro-2-nitrophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H9FN2O3/c11-8-5-1-3-7(10(8)13(15)16)4-2-6-9(12)14/h1-5H,6H2,(H2,12,14)
InChIKeyARDZMVVVDSLJBD-UHFFFAOYSA-N
XLogP1.62
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(3-amino-2-nitrophenyl)but-3-enamide
CID 170798265
4-(3,5-difluoro-4-nitrophenyl)but-3-enamide
CID 170798572
4-(3-fluoro-2-nitrophenyl)but-3-ene-1-thiol
CID 170478743
4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide
CID 170798412
4-(3-fluoro-2-nitrophenyl)-N-methylbut-3-en-1-amine
CID 170496160
4-(2-chloro-5-fluoro-4-nitrophenyl)but-3-enamide
CID 170798570
3-(4-amino-4-oxobut-1-enyl)-2-fluorobenzoic acid
CID 170798147
4-(2-chloro-3-hydroxyphenyl)but-3-enamide
CID 170797494
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
3-(3-aminoprop-1-enyl)-2-nitroaniline
CID 169463868
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
5-(3-fluoro-2-nitroanilino)pentanamide
CID 106238518

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-nitrophenyl)but-3-enamide?
The IUPAC name of 4-(3-fluoro-2-nitrophenyl)but-3-enamide (CID 170798325) is 4-(3-fluoro-2-nitrophenyl)but-3-enamide.
What is the SMILES notation for 4-(3-fluoro-2-nitrophenyl)but-3-enamide?
The canonical SMILES for 4-(3-fluoro-2-nitrophenyl)but-3-enamide is NC(=O)CC=Cc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 4-(3-fluoro-2-nitrophenyl)but-3-enamide?
The InChIKey is ARDZMVVVDSLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-8-5-1-3-7(10(8)13(15)16)4-2-6-9(12)14/h1-5H,6H2,(H2,12,14).
What are the key properties of 4-(3-fluoro-2-nitrophenyl)but-3-enamide?
4-(3-fluoro-2-nitrophenyl)but-3-enamide has a molecular weight of 224.19 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-nitrophenyl)but-3-enamide is sourced from PubChem (CID 170798325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).