N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide

C11H11FN2O3 — CID 169465865

IUPACN-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H11FN2O3/c1-8(15)13-6-2-3-9-4-5-11(14(16)17)10(12)7-9/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyXATLQFSNEJCJGO-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.88
Rot. Bonds4

About N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide

N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide (PubChem CID 169465865) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
PubChem CID169465865
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC NameN-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C11H11FN2O3/c1-8(15)13-6-2-3-9-4-5-11(14(16)17)10(12)7-9/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyXATLQFSNEJCJGO-UHFFFAOYSA-N
XLogP1.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.88
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

9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]carbamate
CID 169469969
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465794
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(2-methyl-6-nitrophenyl)prop-2-enyl]acetamide
CID 169465901
tert-butyl (E)-3-(3-fluoro-4-nitrophenyl)prop-2-enoate
CID 66905416
N-[4-(4-methyl-3-nitrophenyl)but-3-enyl]acetamide
CID 170489127
N-[4-(3-formyl-4-nitrophenyl)but-3-enyl]acetamide
CID 170489356
N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
CID 169466052
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate
CID 169466457

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide (CID 169465865) is N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide?
The InChIKey is XATLQFSNEJCJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-8(15)13-6-2-3-9-4-5-11(14(16)17)10(12)7-9/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide?
N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide has a molecular weight of 238.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).