N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide

C24H19FN2O3 — CID 46805536

IUPACN-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
SMILESN#CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19FN2O3/c25-20-11-7-18(8-12-20)24(29)19-9-13-22(14-10-19)30-17-23(28)27(16-4-15-26)21-5-2-1-3-6-21/h1-3,5-14H,4,16-17H2
InChIKeyCWRDGLDIZKSPCD-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.38
Rot. Bonds8

About N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide

N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide (PubChem CID 46805536) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
PubChem CID46805536
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC NameN-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
SMILESN#CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H19FN2O3/c25-20-11-7-18(8-12-20)24(29)19-9-13-22(14-10-19)30-17-23(28)27(16-4-15-26)21-5-2-1-3-6-21/h1-3,5-14H,4,16-17H2
InChIKeyCWRDGLDIZKSPCD-UHFFFAOYSA-N
XLogP4.38
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide 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

N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 35721181
methyl 4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethoxy]benzoate
CID 51172550
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2433393
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31958823
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-fluorobenzoate
CID 2640344
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
2-(2-bromophenoxy)-N-(2-cyanoethyl)-N-phenylacetamide
CID 38877607
N-(2-cyanoethyl)-2-(2-iodophenoxy)-N-phenylacetamide
CID 38878091
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 16503076
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612560
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 16533251

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide (CID 46805536) is N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide is N#CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide?
The InChIKey is CWRDGLDIZKSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-20-11-7-18(8-12-20)24(29)19-9-13-22(14-10-19)30-17-23(28)27(16-4-15-26)21-5-2-1-3-6-21/h1-3,5-14H,4,16-17H2.
What are the key properties of N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide?
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide has a molecular weight of 402.43 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 46805536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).