N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide

C17H12Cl3NO — CID 68945819

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide
SMILESO=C(C#Cc1cc(Cl)cc(Cl)c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H12Cl3NO/c18-14-3-1-2-12(8-14)6-7-21-17(22)5-4-13-9-15(19)11-16(20)10-13/h1-3,8-11H,6-7H2,(H,21,22)
InChIKeyZIRVKOWIQDFHDV-UHFFFAOYSA-N
MW352.65 g/mol
LogP4.36
Rot. Bonds3

About N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide

N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide (PubChem CID 68945819) has the molecular formula C17H12Cl3NO and a molecular weight of 352.65 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide
PubChem CID68945819
Molecular FormulaC17H12Cl3NO
Molecular Weight352.65 g/mol
Exact Mass351.00
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide
SMILESO=C(C#Cc1cc(Cl)cc(Cl)c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H12Cl3NO/c18-14-3-1-2-12(8-14)6-7-21-17(22)5-4-13-9-15(19)11-16(20)10-13/h1-3,8-11H,6-7H2,(H,21,22)
InChIKeyZIRVKOWIQDFHDV-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide 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

3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 23627864
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
CID 68947547
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-(3-chlorophenyl)ethylurea
CID 127513466
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
N-[2-(4-chlorophenyl)ethyl]-3-(3-cyanophenyl)prop-2-ynamide
CID 68943429
3-(3-chlorophenyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-ynamide
CID 68945575
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 43616522
1-[2-(3-chlorophenyl)ethyl]-3-(2-cyanoethyl)urea
CID 108901546

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide (CID 68945819) is N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide is O=C(C#Cc1cc(Cl)cc(Cl)c1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide?
The InChIKey is ZIRVKOWIQDFHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO/c18-14-3-1-2-12(8-14)6-7-21-17(22)5-4-13-9-15(19)11-16(20)10-13/h1-3,8-11H,6-7H2,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide?
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide has a molecular weight of 352.65 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide is sourced from PubChem (CID 68945819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).