N-(3-fluoro-5-nitrophenyl)propanamide

C9H9FN2O3 — CID 107335364

IUPACN-(3-fluoro-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H9FN2O3/c1-2-9(13)11-7-3-6(10)4-8(5-7)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKeyCDPAUGRCZDMXNY-UHFFFAOYSA-N
MW212.18 g/mol
LogP2.08
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)propanamide

N-(3-fluoro-5-nitrophenyl)propanamide (PubChem CID 107335364) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)propanamide
PubChem CID107335364
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC NameN-(3-fluoro-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H9FN2O3/c1-2-9(13)11-7-3-6(10)4-8(5-7)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKeyCDPAUGRCZDMXNY-UHFFFAOYSA-N
XLogP2.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 52.08
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

6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 107335083
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
CID 107334980
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 107335345
N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide
CID 107335260
4-[(3-fluoro-5-nitrophenyl)carbamoylamino]pentanoic acid
CID 107335440
3-fluoro-5-nitro-N-pentan-3-ylaniline
CID 60875735
2-cyano-N-(3-fluoro-5-nitrophenyl)pentanamide
CID 107335262
2-[(3-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107335451
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024
2-(3-fluoro-5-nitroanilino)-2-methylbutanoic acid
CID 79798618

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)propanamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)propanamide (CID 107335364) is N-(3-fluoro-5-nitrophenyl)propanamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)propanamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)propanamide is CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)propanamide?
The InChIKey is CDPAUGRCZDMXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c1-2-9(13)11-7-3-6(10)4-8(5-7)12(14)15/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of N-(3-fluoro-5-nitrophenyl)propanamide?
N-(3-fluoro-5-nitrophenyl)propanamide has a molecular weight of 212.18 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)propanamide is sourced from PubChem (CID 107335364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).