N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide

C10H11FN2O3 — CID 107335340

IUPACN-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H11FN2O3/c1-6(2)10(14)12-8-3-7(11)4-9(5-8)13(15)16/h3-6H,1-2H3,(H,12,14)
InChIKeyDEUBCWDXUJFAQG-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.33
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide

N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide (PubChem CID 107335340) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
PubChem CID107335340
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC NameN-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H11FN2O3/c1-6(2)10(14)12-8-3-7(11)4-9(5-8)13(15)16/h3-6H,1-2H3,(H,12,14)
InChIKeyDEUBCWDXUJFAQG-UHFFFAOYSA-N
XLogP2.33
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.33
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

(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024
N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
2-cyano-N-(3-fluoro-5-nitrophenyl)pentanamide
CID 107335262
methyl 2-(3-fluoro-5-nitroanilino)propanoate
CID 60875357
N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 107335345
4-[(3-fluoro-5-nitrophenyl)carbamoylamino]pentanoic acid
CID 107335440
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
N-(2,6-dimethylheptan-4-yl)-3-fluoro-5-nitroaniline
CID 107334601
4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
CID 107334980
N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide
CID 107335260
3-fluoro-5-nitro-N-pentan-3-ylaniline
CID 60875735
3-fluoro-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 60877643

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide (CID 107335340) is N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide?
The InChIKey is DEUBCWDXUJFAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6(2)10(14)12-8-3-7(11)4-9(5-8)13(15)16/h3-6H,1-2H3,(H,12,14).
What are the key properties of N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide?
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide has a molecular weight of 226.21 g/mol, XLogP of 2.33, 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)-2-methylpropanamide is sourced from PubChem (CID 107335340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).