N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide

C10H8F4N2O — CID 162607713

IUPACN-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide
SMILESC=CC(F)(F)C(=O)Nc1ccc(F)c(N)c1F
InChIInChI=1S/C10H8F4N2O/c1-2-10(13,14)9(17)16-6-4-3-5(11)8(15)7(6)12/h2-4H,1,15H2,(H,16,17)
InChIKeyPGPFRPLSFFOLOJ-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.31
Rot. Bonds3

About N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide

N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide (PubChem CID 162607713) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide.

Molecular Properties

Compound NameN-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide
PubChem CID162607713
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC NameN-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide
SMILESC=CC(F)(F)C(=O)Nc1ccc(F)c(N)c1F
InChIInChI=1S/C10H8F4N2O/c1-2-10(13,14)9(17)16-6-4-3-5(11)8(15)7(6)12/h2-4H,1,15H2,(H,16,17)
InChIKeyPGPFRPLSFFOLOJ-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
CID 62649534
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,3,4-trifluorophenyl)butanamide
CID 76920030
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968690
2,2,2-trifluoroethyl N-(2,3,4-trifluorophenyl)carbamate
CID 39871456
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
2-benzyl-3,3,3-trifluoro-2-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 71672820
2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
CID 80555203
2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 80548019
3-amino-N-(2-amino-3,4-difluorophenyl)propanamide
CID 110479002

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide?
The IUPAC name of N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide (CID 162607713) is N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide.
What is the SMILES notation for N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide?
The canonical SMILES for N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide is C=CC(F)(F)C(=O)Nc1ccc(F)c(N)c1F.
What is the InChIKey of N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide?
The InChIKey is PGPFRPLSFFOLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c1-2-10(13,14)9(17)16-6-4-3-5(11)8(15)7(6)12/h2-4H,1,15H2,(H,16,17).
What are the key properties of N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide?
N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide has a molecular weight of 248.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-difluorophenyl)-2,2-difluorobut-3-enamide is sourced from PubChem (CID 162607713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).