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

C10H11FN2O — CID 76991046

IUPACN-(3-amino-4-fluorophenyl)but-2-enamide
SMILESCC=CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C10H11FN2O/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h2-6H,12H2,1H3,(H,13,14)
InChIKeyKQDFGHMOQPEMMH-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.92
Rot. Bonds2

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

N-(3-amino-4-fluorophenyl)but-2-enamide (PubChem CID 76991046) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)but-2-enamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)but-2-enamide
PubChem CID76991046
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC NameN-(3-amino-4-fluorophenyl)but-2-enamide
SMILESCC=CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C10H11FN2O/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h2-6H,12H2,1H3,(H,13,14)
InChIKeyKQDFGHMOQPEMMH-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723
N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559
N-(3-cyano-4-fluorophenyl)but-2-enamide
CID 78925603
(3-amino-4-fluorophenyl)urea
CID 16776521
N-(3-amino-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 76932979
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 39423072
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)but-2-enamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)but-2-enamide (CID 76991046) is N-(3-amino-4-fluorophenyl)but-2-enamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)but-2-enamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)but-2-enamide is CC=CC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)but-2-enamide?
The InChIKey is KQDFGHMOQPEMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-4-fluorophenyl)but-2-enamide?
N-(3-amino-4-fluorophenyl)but-2-enamide has a molecular weight of 194.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)but-2-enamide is sourced from PubChem (CID 76991046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).