N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide

C12H15FN2O3 — CID 1147566

IUPACN-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15FN2O3/c1-4-12(2,3)11(16)14-8-5-6-9(13)10(7-8)15(17)18/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyGEYRIPNBSUZSBJ-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.11
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide

N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide (PubChem CID 1147566) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
PubChem CID1147566
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15FN2O3/c1-4-12(2,3)11(16)14-8-5-6-9(13)10(7-8)15(17)18/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyGEYRIPNBSUZSBJ-UHFFFAOYSA-N
XLogP3.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
CID 79796657
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
CID 65225395
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide (CID 1147566) is N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide?
The InChIKey is GEYRIPNBSUZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-4-12(2,3)11(16)14-8-5-6-9(13)10(7-8)15(17)18/h5-7H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide?
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide has a molecular weight of 254.26 g/mol, XLogP of 3.11, 4 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)-2,2-dimethylbutanamide is sourced from PubChem (CID 1147566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).