3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide

C10H11FN2O — CID 169481768

IUPAC3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide
SMILESNCc1ccc(F)cc1C=CC(N)=O
InChIInChI=1S/C10H11FN2O/c11-9-3-1-8(6-12)7(5-9)2-4-10(13)14/h1-5H,6,12H2,(H2,13,14)
InChIKeyQWAIFRIDKGZUMB-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.78
Rot. Bonds3

About 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide

3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide (PubChem CID 169481768) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide
PubChem CID169481768
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide
SMILESNCc1ccc(F)cc1C=CC(N)=O
InChIInChI=1S/C10H11FN2O/c11-9-3-1-8(6-12)7(5-9)2-4-10(13)14/h1-5H,6,12H2,(H2,13,14)
InChIKeyQWAIFRIDKGZUMB-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enoate
CID 169478976
2-[2-(3-amino-3-oxoprop-1-enyl)-5-fluorophenyl]acetic acid
CID 169482218
2-(3-amino-3-oxoprop-1-enyl)-4-fluorobenzoic acid
CID 169481992
S-[3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enyl] ethanethioate
CID 169457191
N-[4-[2-(aminomethyl)-5-fluorophenyl]but-3-enyl]acetamide
CID 170488656
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
CID 169482966
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211
2-(aminomethyl)-4-fluorobenzamide
CID 174538436
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2-[4-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)phenyl]acetic acid
CID 169479353
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide?
The IUPAC name of 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide (CID 169481768) is 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide.
What is the SMILES notation for 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide?
The canonical SMILES for 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide is NCc1ccc(F)cc1C=CC(N)=O.
What is the InChIKey of 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide?
The InChIKey is QWAIFRIDKGZUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-9-3-1-8(6-12)7(5-9)2-4-10(13)14/h1-5H,6,12H2,(H2,13,14).
What are the key properties of 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide?
3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide has a molecular weight of 194.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide is sourced from PubChem (CID 169481768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).