N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide

C18H16Cl2N2O2 — CID 4817772

IUPACN-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C18H16Cl2N2O2/c1-13(24-17-12-14(19)8-9-16(17)20)18(23)22(11-5-10-21)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3
InChIKeyYBQFOBUAMSXJRD-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.71
Rot. Bonds6

About N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide

N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide (PubChem CID 4817772) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide
PubChem CID4817772
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC NameN-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C18H16Cl2N2O2/c1-13(24-17-12-14(19)8-9-16(17)20)18(23)22(11-5-10-21)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3
InChIKeyYBQFOBUAMSXJRD-UHFFFAOYSA-N
XLogP4.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide 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-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
[(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2,2,2-trifluoroacetate
CID 99799797
(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
CID 8976826
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
[(2S)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 8663665
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
2-(2-methoxyphenoxy)-N-[2-[N-[2-(2-methoxyphenoxy)propanoyl]anilino]ethyl]-N-phenylpropanamide
CID 4943546
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
CID 43245519
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide
CID 7225808
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide
CID 4817806
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978281

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide (CID 4817772) is N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide is CC(Oc1cc(Cl)ccc1Cl)C(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide?
The InChIKey is YBQFOBUAMSXJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-13(24-17-12-14(19)8-9-16(17)20)18(23)22(11-5-10-21)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide?
N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide has a molecular weight of 363.24 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide is sourced from PubChem (CID 4817772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).