N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide

C20H21ClN2O — CID 15983560

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide
SMILESCN(C)CCC(NC(=O)C#Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O/c1-23(2)15-14-19(17-9-11-18(21)12-10-17)22-20(24)13-8-16-6-4-3-5-7-16/h3-7,9-12,19H,14-15H2,1-2H3,(H,22,24)
InChIKeyFOYDFYHEUSPBDF-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide (PubChem CID 15983560) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide
PubChem CID15983560
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide
SMILESCN(C)CCC(NC(=O)C#Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O/c1-23(2)15-14-19(17-9-11-18(21)12-10-17)22-20(24)13-8-16-6-4-3-5-7-16/h3-7,9-12,19H,14-15H2,1-2H3,(H,22,24)
InChIKeyFOYDFYHEUSPBDF-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-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

Uamc00039
CID 11232124
Benzamide derivative 11
CID 41306362
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
N-(4-chlorobenzyl)-2-cyclohexylacetamide
CID 1121692
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide (CID 15983560) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide is CN(C)CCC(NC(=O)C#Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide?
The InChIKey is FOYDFYHEUSPBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-23(2)15-14-19(17-9-11-18(21)12-10-17)22-20(24)13-8-16-6-4-3-5-7-16/h3-7,9-12,19H,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide has a molecular weight of 340.85 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 15983560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).