N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide

C12H14FNO — CID 84571244

IUPACN-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C12H14FNO/c1-3-8-14(10(2)15)9-11-6-4-5-7-12(11)13/h3-7H,1,8-9H2,2H3
InChIKeyBMLCRORXXSYZOC-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide

N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide (PubChem CID 84571244) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
PubChem CID84571244
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C12H14FNO/c1-3-8-14(10(2)15)9-11-6-4-5-7-12(11)13/h3-7H,1,8-9H2,2H3
InChIKeyBMLCRORXXSYZOC-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113158508
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide;hydrochloride
CID 120625240
methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate
CID 87035283
(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide
CID 52510644
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 86824770
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55921283
3-[4-(diethylsulfamoyl)phenyl]-N-[(2-fluorophenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55919861
N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 55920767

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide (CID 84571244) is N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccccc1F)C(C)=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
The InChIKey is BMLCRORXXSYZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-8-14(10(2)15)9-11-6-4-5-7-12(11)13/h3-7H,1,8-9H2,2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide has a molecular weight of 207.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 84571244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).