N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide

C17H17FN2O4 — CID 16960995

IUPACN-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4/c1-3-15(17(21)19-13-7-5-12(18)6-8-13)24-16-9-4-11(2)10-14(16)20(22)23/h4-10,15H,3H2,1-2H3,(H,19,21)
InChIKeyZIQBUGKMXJBKEH-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.84
Rot. Bonds6

About N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide

N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide (PubChem CID 16960995) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide
PubChem CID16960995
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O4/c1-3-15(17(21)19-13-7-5-12(18)6-8-13)24-16-9-4-11(2)10-14(16)20(22)23/h4-10,15H,3H2,1-2H3,(H,19,21)
InChIKeyZIQBUGKMXJBKEH-UHFFFAOYSA-N
XLogP3.84
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
N-[4-[(2R)-2-(4-methyl-2-nitrophenoxy)propanoyl]phenyl]butanamide
CID 39952567
N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
CID 2932932
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
CID 23383026
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide (CID 16960995) is N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide is CCC(Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide?
The InChIKey is ZIQBUGKMXJBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-15(17(21)19-13-7-5-12(18)6-8-13)24-16-9-4-11(2)10-14(16)20(22)23/h4-10,15H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide?
N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide has a molecular weight of 332.33 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-methyl-2-nitrophenoxy)butanamide is sourced from PubChem (CID 16960995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).