N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide

C12H15FN2O3 — CID 2905787

IUPACN-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H15FN2O3/c1-3-4-8(2)12(16)14-11-7-9(15(17)18)5-6-10(11)13/h5-8H,3-4H2,1-2H3,(H,14,16)
InChIKeyDNGCKAOEMWTIES-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.11
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide

N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide (PubChem CID 2905787) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
PubChem CID2905787
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C12H15FN2O3/c1-3-4-8(2)12(16)14-11-7-9(15(17)18)5-6-10(11)13/h5-8H,3-4H2,1-2H3,(H,14,16)
InChIKeyDNGCKAOEMWTIES-UHFFFAOYSA-N
XLogP3.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.11
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)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-methylpentanoate
CID 5236524
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
2-(aminomethyl)-N-(2-fluoro-5-nitrophenyl)butanamide
CID 65225442
3-[(2-fluoro-5-nitrophenyl)carbamoylamino]butanoic acid
CID 61197131
3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 62837323
2-(4-ethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 4953312
2-(2-fluoro-4-nitroanilino)pentanoic acid
CID 43631350
(2S)-2-amino-N-(2-fluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61155225
4-amino-5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid
CID 64896003

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide (CID 2905787) is N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide?
The InChIKey is DNGCKAOEMWTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-4-8(2)12(16)14-11-7-9(15(17)18)5-6-10(11)13/h5-8H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide?
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide has a molecular weight of 254.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide is sourced from PubChem (CID 2905787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).