2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide

C11H11F3N2O4 — CID 20792211

IUPAC2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide
SMILESCC(F)(F)C(=O)Nc1ccc([N+](=O)[O-])c(CCO)c1F
InChIInChI=1S/C11H11F3N2O4/c1-11(13,14)10(18)15-7-2-3-8(16(19)20)6(4-5-17)9(7)12/h2-3,17H,4-5H2,1H3,(H,15,18)
InChIKeyKIMVPVNWJHIIFO-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.86
Rot. Bonds5

About 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide

2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide (PubChem CID 20792211) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide
PubChem CID20792211
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide
SMILESCC(F)(F)C(=O)Nc1ccc([N+](=O)[O-])c(CCO)c1F
InChIInChI=1S/C11H11F3N2O4/c1-11(13,14)10(18)15-7-2-3-8(16(19)20)6(4-5-17)9(7)12/h2-3,17H,4-5H2,1H3,(H,15,18)
InChIKeyKIMVPVNWJHIIFO-UHFFFAOYSA-N
XLogP1.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.86
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

2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
CID 20792213
2-(2,6-difluoro-3-nitrophenyl)ethanol
CID 130047508
N-(2-ethyl-3-nitrophenyl)-2,2,2-trifluoroacetamide
CID 141000827
3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
3-methyl-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]butan-1-ol
CID 115681085
N-(4-amino-2-nitrophenyl)-3,3-dimethylbutanamide
CID 69272436
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide
CID 63679610
(2R)-2,3-dihydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 102197176
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
[2-methyl-6-nitro-3-(trifluoromethyl)phenyl]methanol
CID 131328450

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide?
The IUPAC name of 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide (CID 20792211) is 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide is CC(F)(F)C(=O)Nc1ccc([N+](=O)[O-])c(CCO)c1F.
What is the InChIKey of 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide?
The InChIKey is KIMVPVNWJHIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-11(13,14)10(18)15-7-2-3-8(16(19)20)6(4-5-17)9(7)12/h2-3,17H,4-5H2,1H3,(H,15,18).
What are the key properties of 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide?
2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide has a molecular weight of 292.21 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide is sourced from PubChem (CID 20792211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).