2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide

C11H13F2N3O3 — CID 103828384

IUPAC2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H13F2N3O3/c1-3-14-11(17)6(2)15-10-8(12)4-7(16(18)19)5-9(10)13/h4-6,15H,3H2,1-2H3,(H,14,17)
InChIKeyCNBDRPYQKMIJJI-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.81
Rot. Bonds5

About 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide

2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide (PubChem CID 103828384) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
PubChem CID103828384
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H13F2N3O3/c1-3-14-11(17)6(2)15-10-8(12)4-7(16(18)19)5-9(10)13/h4-6,15H,3H2,1-2H3,(H,14,17)
InChIKeyCNBDRPYQKMIJJI-UHFFFAOYSA-N
XLogP1.81
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide
CID 80783432
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
(2S)-2-(2,6-difluoro-4-nitroanilino)-3-methylbutanoic acid
CID 120964334
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
2,6-difluoro-N-hexan-2-yl-4-nitroaniline
CID 114048000
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79535149
N-but-3-en-2-yl-2,6-difluoro-4-nitroaniline
CID 103828733
2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)-4-nitroaniline
CID 103828624
2,6-difluoro-4-nitro-N-pent-4-yn-2-ylaniline
CID 103828692
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
CID 106891666
2,6-difluoro-4-nitro-N-octan-4-ylaniline
CID 106026448
3,5-dinitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 14440643

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide (CID 103828384) is 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide?
The InChIKey is CNBDRPYQKMIJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c1-3-14-11(17)6(2)15-10-8(12)4-7(16(18)19)5-9(10)13/h4-6,15H,3H2,1-2H3,(H,14,17).
What are the key properties of 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide?
2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide has a molecular weight of 273.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide is sourced from PubChem (CID 103828384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).