5-(3,5-difluoro-2-nitroanilino)pentanamide

C11H13F2N3O3 — CID 106239018

IUPAC5-(3,5-difluoro-2-nitroanilino)pentanamide
SMILESNC(=O)CCCCNc1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H13F2N3O3/c12-7-5-8(13)11(16(18)19)9(6-7)15-4-2-1-3-10(14)17/h5-6,15H,1-4H2,(H2,14,17)
InChIKeySRSPTQJIMXYBMK-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.94
Rot. Bonds7

About 5-(3,5-difluoro-2-nitroanilino)pentanamide

5-(3,5-difluoro-2-nitroanilino)pentanamide (PubChem CID 106239018) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-(3,5-difluoro-2-nitroanilino)pentanamide.

Molecular Properties

Compound Name5-(3,5-difluoro-2-nitroanilino)pentanamide
PubChem CID106239018
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name5-(3,5-difluoro-2-nitroanilino)pentanamide
SMILESNC(=O)CCCCNc1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C11H13F2N3O3/c12-7-5-8(13)11(16(18)19)9(6-7)15-4-2-1-3-10(14)17/h5-6,15H,1-4H2,(H2,14,17)
InChIKeySRSPTQJIMXYBMK-UHFFFAOYSA-N
XLogP1.94
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-difluoro-2-nitrophenyl)butane-1,4-diamine
CID 113325462
N'-(3,5-difluoro-2-nitrophenyl)propane-1,3-diamine
CID 115507547
6-(3,5-difluoro-2-nitroanilino)hexan-1-ol
CID 107848694
5-(3-fluoro-2-nitroanilino)pentanamide
CID 106238518
3,5-difluoro-2-nitro-N-pentylaniline
CID 113325497
ethyl 4-(3,5-difluoro-2-nitroanilino)butanoate
CID 115507456
3-(3,5-difluoro-2-nitroanilino)-N-methylpropanamide
CID 113325523
N'-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 115509718
2-(3,5-difluoro-2-nitroanilino)ethanesulfonamide
CID 115507734
N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline
CID 106012836
3,5-difluoro-N-(3-methylbutyl)-2-nitroaniline
CID 113325498
3,5-difluoro-2-nitro-N-(2-phenylethyl)aniline
CID 115507690

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-2-nitroanilino)pentanamide?
The IUPAC name of 5-(3,5-difluoro-2-nitroanilino)pentanamide (CID 106239018) is 5-(3,5-difluoro-2-nitroanilino)pentanamide.
What is the SMILES notation for 5-(3,5-difluoro-2-nitroanilino)pentanamide?
The canonical SMILES for 5-(3,5-difluoro-2-nitroanilino)pentanamide is NC(=O)CCCCNc1cc(F)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 5-(3,5-difluoro-2-nitroanilino)pentanamide?
The InChIKey is SRSPTQJIMXYBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c12-7-5-8(13)11(16(18)19)9(6-7)15-4-2-1-3-10(14)17/h5-6,15H,1-4H2,(H2,14,17).
What are the key properties of 5-(3,5-difluoro-2-nitroanilino)pentanamide?
5-(3,5-difluoro-2-nitroanilino)pentanamide has a molecular weight of 273.24 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-2-nitroanilino)pentanamide is sourced from PubChem (CID 106239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).