3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide

C11H13F2N3O3 — CID 113410718

IUPAC3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C11H13F2N3O3/c1-2-14-9(17)5-6-15-11-8(16(18)19)4-3-7(12)10(11)13/h3-4,15H,2,5-6H2,1H3,(H,14,17)
InChIKeyPUMJGCYXMNVNCE-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.81
Rot. Bonds6

About 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide

3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide (PubChem CID 113410718) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide
PubChem CID113410718
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)CCNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C11H13F2N3O3/c1-2-14-9(17)5-6-15-11-8(16(18)19)4-3-7(12)10(11)13/h3-4,15H,2,5-6H2,1H3,(H,14,17)
InChIKeyPUMJGCYXMNVNCE-UHFFFAOYSA-N
XLogP1.81
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.81
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

4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 55098004
N-(2,2-dimethylbutyl)-2,3-difluoro-6-nitroaniline
CID 103462610
N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
CID 115564289
N-[2-(2,3-difluoro-6-nitroanilino)ethyl]methanesulfonamide
CID 55086018
3-(2,3-difluoro-6-nitroanilino)-2,2-dimethylpropanoic acid
CID 115427624
2,3-difluoro-N-(3-methylsulfonylpropyl)-6-nitroaniline
CID 62532304
2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
CID 106239487
3-amino-4-(2,3-difluoro-6-nitroanilino)butan-2-ol
CID 64540429
3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
CID 114153466
1-(2,3-difluoro-6-nitroanilino)-4,4-dimethylpentan-2-ol
CID 107153103
2,3-difluoro-6-nitro-N-(2-phenylsulfanylethyl)aniline
CID 62532646

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide?
The IUPAC name of 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide (CID 113410718) is 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide?
The canonical SMILES for 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide is CCNC(=O)CCNc1c([N+](=O)[O-])ccc(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide?
The InChIKey is PUMJGCYXMNVNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c1-2-14-9(17)5-6-15-11-8(16(18)19)4-3-7(12)10(11)13/h3-4,15H,2,5-6H2,1H3,(H,14,17).
What are the key properties of 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide?
3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide has a molecular weight of 273.24 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide is sourced from PubChem (CID 113410718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).