N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide

C11H12FN3O3 — CID 169466052

IUPACN-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc([N+](=O)[O-])cc(F)c1N
InChIInChI=1S/C11H12FN3O3/c1-7(16)14-4-2-3-8-5-9(15(17)18)6-10(12)11(8)13/h2-3,5-6H,4,13H2,1H3,(H,14,16)
InChIKeyAPTNNEQELPPZJW-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.47
Rot. Bonds4

About N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide

N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide (PubChem CID 169466052) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
PubChem CID169466052
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC NameN-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc([N+](=O)[O-])cc(F)c1N
InChIInChI=1S/C11H12FN3O3/c1-7(16)14-4-2-3-8-5-9(15(17)18)6-10(12)11(8)13/h2-3,5-6H,4,13H2,1H3,(H,14,16)
InChIKeyAPTNNEQELPPZJW-UHFFFAOYSA-N
XLogP1.47
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-(2-amino-3-fluoro-5-nitrophenyl)but-3-ene-1-thiol
CID 170478924
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
CID 169466328
tert-butyl N-[3-(2-amino-3-methyl-5-nitrophenyl)prop-2-enyl]carbamate
CID 169468106
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073
N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
CID 169465865
N-[4-(2-fluoro-5-nitrophenyl)but-3-enyl]acetamide
CID 170489087
N-[3-(3-amino-2-nitrophenyl)prop-2-enyl]acetamide
CID 169465811
N-[3-(5-acetyl-2-fluorophenyl)prop-2-enyl]acetamide
CID 169465750
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466149
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
4-(3-acetamidoprop-1-enyl)-2,5-difluorobenzoic acid
CID 169466002

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide (CID 169466052) is N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc([N+](=O)[O-])cc(F)c1N.
What is the InChIKey of N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide?
The InChIKey is APTNNEQELPPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-7(16)14-4-2-3-8-5-9(15(17)18)6-10(12)11(8)13/h2-3,5-6H,4,13H2,1H3,(H,14,16).
What are the key properties of N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide?
N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide has a molecular weight of 253.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).