3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide

C12H16FN3O3 — CID 62837323

IUPAC3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H16FN3O3/c1-3-14-7-8(2)12(17)15-11-5-4-9(16(18)19)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3,(H,15,17)
InChIKeyQXDFJRSYASEZFR-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.92
Rot. Bonds6

About 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide

3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide (PubChem CID 62837323) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
PubChem CID62837323
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H16FN3O3/c1-3-14-7-8(2)12(17)15-11-5-4-9(16(18)19)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3,(H,15,17)
InChIKeyQXDFJRSYASEZFR-UHFFFAOYSA-N
XLogP1.92
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
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

(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide
CID 79023514
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
3-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 62675552
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 62853982
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
3-chloro-2-methyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 62726618
3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide
CID 62727735
2-(2-fluoro-4-nitroanilino)pentanoic acid
CID 43631350
2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
CID 133311026
propan-2-yl 3-(2-fluoro-4-nitroanilino)-2-methylpropanoate
CID 133325480
N-ethyl-N'-(2-fluoro-4-nitrophenyl)propane-1,3-diamine
CID 54906818

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide (CID 62837323) is 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide?
The InChIKey is QXDFJRSYASEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-3-14-7-8(2)12(17)15-11-5-4-9(16(18)19)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide?
3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide has a molecular weight of 269.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 62837323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).