4-(5-amino-2-fluorophenyl)but-3-enamide

C10H11FN2O — CID 170797575

IUPAC4-(5-amino-2-fluorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(N)ccc1F
InChIInChI=1S/C10H11FN2O/c11-9-5-4-8(12)6-7(9)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H2,13,14)
InChIKeyPGBNMZKZZFQLFJ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.30
Rot. Bonds3

About 4-(5-amino-2-fluorophenyl)but-3-enamide

4-(5-amino-2-fluorophenyl)but-3-enamide (PubChem CID 170797575) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)but-3-enamide.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)but-3-enamide
PubChem CID170797575
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name4-(5-amino-2-fluorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(N)ccc1F
InChIInChI=1S/C10H11FN2O/c11-9-5-4-8(12)6-7(9)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H2,13,14)
InChIKeyPGBNMZKZZFQLFJ-UHFFFAOYSA-N
XLogP1.30
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2,5-difluorophenyl)but-3-enamide
CID 170798989
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
4-(4-amino-2-fluorophenyl)but-3-enoic acid
CID 170483256
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583
3-(4-chlorobut-1-enyl)-4-fluoroaniline
CID 170498824
4-(4-cyano-2,5-difluorophenyl)but-3-enamide
CID 170798299
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729
3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
2-[5-(4-amino-4-oxobut-1-enyl)-2-fluorophenyl]acetic acid
CID 170798417

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluorophenyl)but-3-enamide?
The IUPAC name of 4-(5-amino-2-fluorophenyl)but-3-enamide (CID 170797575) is 4-(5-amino-2-fluorophenyl)but-3-enamide.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)but-3-enamide?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)but-3-enamide is NC(=O)CC=Cc1cc(N)ccc1F.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)but-3-enamide?
The InChIKey is PGBNMZKZZFQLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-9-5-4-8(12)6-7(9)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H2,13,14).
What are the key properties of 4-(5-amino-2-fluorophenyl)but-3-enamide?
4-(5-amino-2-fluorophenyl)but-3-enamide has a molecular weight of 194.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluorophenyl)but-3-enamide is sourced from PubChem (CID 170797575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).