N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide

C21H24F2N2O — CID 60541569

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)N(CC)Cc1cccc(F)c1)Cc1ccccc1F
InChIInChI=1S/C21H24F2N2O/c1-3-12-24(15-18-9-5-6-11-20(18)23)16-21(26)25(4-2)14-17-8-7-10-19(22)13-17/h3,5-11,13H,1,4,12,14-16H2,2H3
InChIKeyOTQCSRZTBQZFBE-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.00
Rot. Bonds9

About N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide

N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide (PubChem CID 60541569) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
PubChem CID60541569
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)N(CC)Cc1cccc(F)c1)Cc1ccccc1F
InChIInChI=1S/C21H24F2N2O/c1-3-12-24(15-18-9-5-6-11-20(18)23)16-21(26)25(4-2)14-17-8-7-10-19(22)13-17/h3,5-11,13H,1,4,12,14-16H2,2H3
InChIKeyOTQCSRZTBQZFBE-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide 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-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977833
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)-2-[(3-fluorophenyl)methyl-prop-2-enylamino]acetamide
CID 167794574
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60563776
ethyl 2-[(2-chloro-3-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 112550232
2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 55650163
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide (CID 60541569) is N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)N(CC)Cc1cccc(F)c1)Cc1ccccc1F.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
The InChIKey is OTQCSRZTBQZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-3-12-24(15-18-9-5-6-11-20(18)23)16-21(26)25(4-2)14-17-8-7-10-19(22)13-17/h3,5-11,13H,1,4,12,14-16H2,2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide has a molecular weight of 358.43 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 60541569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).