2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

C14H17FN2O2 — CID 113158508

IUPAC2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESC=CCN(CC(=O)NCc1ccccc1F)C(C)=O
InChIInChI=1S/C14H17FN2O2/c1-3-8-17(11(2)18)10-14(19)16-9-12-6-4-5-7-13(12)15/h3-7H,1,8-10H2,2H3,(H,16,19)
InChIKeyBPBYNDNIHDINMN-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.48
Rot. Bonds6

About 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113158508) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113158508
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESC=CCN(CC(=O)NCc1ccccc1F)C(C)=O
InChIInChI=1S/C14H17FN2O2/c1-3-8-17(11(2)18)10-14(19)16-9-12-6-4-5-7-13(12)15/h3-7H,1,8-10H2,2H3,(H,16,19)
InChIKeyBPBYNDNIHDINMN-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
2-[[(3S)-1,1-dioxothiolan-3-yl]-prop-2-enylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 95132352
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113122832
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113178572
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
CID 113162145
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 113164141
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 113158508) is 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is C=CCN(CC(=O)NCc1ccccc1F)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is BPBYNDNIHDINMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-8-17(11(2)18)10-14(19)16-9-12-6-4-5-7-13(12)15/h3-7H,1,8-10H2,2H3,(H,16,19).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 264.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113158508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).