N-(4-fluoro-3-nitrophenyl)prop-2-enamide

C9H7FN2O3 — CID 43422996

IUPACN-(4-fluoro-3-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H7FN2O3/c1-2-9(13)11-6-3-4-7(10)8(5-6)12(14)15/h2-5H,1H2,(H,11,13)
InChIKeyDTWKLSRHQLSXKB-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.86
Rot. Bonds3

About N-(4-fluoro-3-nitrophenyl)prop-2-enamide

N-(4-fluoro-3-nitrophenyl)prop-2-enamide (PubChem CID 43422996) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)prop-2-enamide
PubChem CID43422996
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC NameN-(4-fluoro-3-nitrophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H7FN2O3/c1-2-9(13)11-6-3-4-7(10)8(5-6)12(14)15/h2-5H,1H2,(H,11,13)
InChIKeyDTWKLSRHQLSXKB-UHFFFAOYSA-N
XLogP1.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
CID 26696924
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
(E)-3-(4-tert-butylphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 844305
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)prop-2-enamide (CID 43422996) is N-(4-fluoro-3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)prop-2-enamide is C=CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
The InChIKey is DTWKLSRHQLSXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c1-2-9(13)11-6-3-4-7(10)8(5-6)12(14)15/h2-5H,1H2,(H,11,13).
What are the key properties of N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
N-(4-fluoro-3-nitrophenyl)prop-2-enamide has a molecular weight of 210.16 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 43422996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).