4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide

C13H12FNO — CID 18933432

IUPAC4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide
SMILESC=CCN(C#CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h3,5-8H,1,9H2,2H3
InChIKeyOOCPVFHRMRMWIC-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.43
Rot. Bonds3

About 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide

4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide (PubChem CID 18933432) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide
PubChem CID18933432
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide
SMILESC=CCN(C#CC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h3,5-8H,1,9H2,2H3
InChIKeyOOCPVFHRMRMWIC-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82324895
N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide
CID 102438854
4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348
N-(3-amino-3-sulfanylidenepropyl)-4-fluoro-N-prop-2-enylbenzamide
CID 82103833
(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
CID 54007184
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429
N-but-2-ynyl-4-fluorobenzamide
CID 115866848
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
2-(dimethylamino)-1-(4-fluorophenyl)-2-prop-2-enylpent-4-en-1-one
CID 19049459
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
4-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 115968413

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide?
The IUPAC name of 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide (CID 18933432) is 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide.
What is the SMILES notation for 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide?
The canonical SMILES for 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide is C=CCN(C#CC)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide?
The InChIKey is OOCPVFHRMRMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h3,5-8H,1,9H2,2H3.
What are the key properties of 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide?
4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide has a molecular weight of 217.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-prop-2-enyl-N-prop-1-ynylbenzamide is sourced from PubChem (CID 18933432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).