N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide

C13H14FNO — CID 71369406

IUPACN-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)C(=C)F
InChIInChI=1S/C13H14FNO/c1-3-9-15(13(16)11(2)14)10-12-7-5-4-6-8-12/h3-8H,1-2,9-10H2
InChIKeyBQNBDQCMWMEYBK-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.68
Rot. Bonds5

About N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide

N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide (PubChem CID 71369406) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
PubChem CID71369406
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC NameN-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)C(=C)F
InChIInChI=1S/C13H14FNO/c1-3-9-15(13(16)11(2)14)10-12-7-5-4-6-8-12/h3-8H,1-2,9-10H2
InChIKeyBQNBDQCMWMEYBK-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
sodium N-benzyl-N-prop-2-enylcarbamodithioate
CID 118484135
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
N,N-dibenzylbut-3-enamide
CID 134848345
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
N-benzyl-2-(3-bromo-4-fluorophenyl)-N-prop-2-enylacetamide
CID 55873125
CID 101349022
CID 101349022
1-benzyl-3-(2-methylsulfanylphenyl)-1-prop-2-enylurea
CID 86987076

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide (CID 71369406) is N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide is C=CCN(Cc1ccccc1)C(=O)C(=C)F.
What is the InChIKey of N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide?
The InChIKey is BQNBDQCMWMEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-9-15(13(16)11(2)14)10-12-7-5-4-6-8-12/h3-8H,1-2,9-10H2.
What are the key properties of N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide?
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide has a molecular weight of 219.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 71369406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).