3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide

C9H9F2N3O4 — CID 114153466

IUPAC3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C9H9F2N3O4/c10-4-1-2-5(14(17)18)8(7(4)11)13-3-6(15)9(12)16/h1-2,6,13,15H,3H2,(H2,12,16)
InChIKeyXYCYLDLYIXLXOT-UHFFFAOYSA-N
MW261.18 g/mol
LogP0.13
Rot. Bonds5

About 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide

3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide (PubChem CID 114153466) has the molecular formula C9H9F2N3O4 and a molecular weight of 261.18 g/mol. Its IUPAC name is 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
PubChem CID114153466
Molecular FormulaC9H9F2N3O4
Molecular Weight261.18 g/mol
Exact Mass261.06
IUPAC Name3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C9H9F2N3O4/c10-4-1-2-5(14(17)18)8(7(4)11)13-3-6(15)9(12)16/h1-2,6,13,15H,3H2,(H2,12,16)
InChIKeyXYCYLDLYIXLXOT-UHFFFAOYSA-N
XLogP0.13
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-amino-4-(2,3-difluoro-6-nitroanilino)butan-2-ol
CID 64540429
1-(2,3-difluoro-6-nitroanilino)-4,4-dimethylpentan-2-ol
CID 107153103
4-(2,3-difluoro-6-nitroanilino)butan-1-ol
CID 106842471
2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
CID 106239487
2,3-difluoro-N-(3-methoxy-2-methylpropyl)-6-nitroaniline
CID 62531449
3-(2,3-difluoro-6-nitroanilino)-2,2-dimethylpropanoic acid
CID 115427624
3-(3-amino-4-nitroanilino)-2-hydroxypropanamide
CID 106174439
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106178690
N-(2,2-dimethylbutyl)-2,3-difluoro-6-nitroaniline
CID 103462610
3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide
CID 113410718
3-(2,3-difluoro-6-nitroanilino)butanoic acid
CID 55086404
3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170824

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide (CID 114153466) is 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide is NC(=O)C(O)CNc1c([N+](=O)[O-])ccc(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide?
The InChIKey is XYCYLDLYIXLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O4/c10-4-1-2-5(14(17)18)8(7(4)11)13-3-6(15)9(12)16/h1-2,6,13,15H,3H2,(H2,12,16).
What are the key properties of 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide?
3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide has a molecular weight of 261.18 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide is sourced from PubChem (CID 114153466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).