N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide

C19H22ClN3O2 — CID 108949854

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
SMILESCN(C)c1ccc(NC(=O)CC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(2)17-9-7-16(8-10-17)22-19(25)13-18(24)21-12-11-14-3-5-15(20)6-4-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySAYPYCVZZDPPMV-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.09
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide

N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide (PubChem CID 108949854) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
PubChem CID108949854
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
SMILESCN(C)c1ccc(NC(=O)CC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-23(2)17-9-7-16(8-10-17)22-19(25)13-18(24)21-12-11-14-3-5-15(20)6-4-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySAYPYCVZZDPPMV-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide 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-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 108949870
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide
CID 108943193
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
CID 108949880

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide (CID 108949854) is N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide is CN(C)c1ccc(NC(=O)CC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide?
The InChIKey is SAYPYCVZZDPPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-23(2)17-9-7-16(8-10-17)22-19(25)13-18(24)21-12-11-14-3-5-15(20)6-4-14/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide?
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide has a molecular weight of 359.86 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide is sourced from PubChem (CID 108949854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).