N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide

C20H24ClN3O2 — CID 108955203

IUPACN'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(5-2)17-9-7-16(8-10-17)22-19(25)13-20(26)23-18-11-6-15(21)12-14(18)3/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyAFDYDTZJWBQGDZ-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.46
Rot. Bonds7

About N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide

N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide (PubChem CID 108955203) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
PubChem CID108955203
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(5-2)17-9-7-16(8-10-17)22-19(25)13-20(26)23-18-11-6-15(21)12-14(18)3/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyAFDYDTZJWBQGDZ-UHFFFAOYSA-N
XLogP4.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.46
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'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)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'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 109010434
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
N-(1,3-benzodioxol-5-yl)-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108956695
N'-[4-(diethylamino)-2-methylphenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956715
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide (CID 108955203) is N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide?
The InChIKey is AFDYDTZJWBQGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-24(5-2)17-9-7-16(8-10-17)22-19(25)13-20(26)23-18-11-6-15(21)12-14(18)3/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide?
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide has a molecular weight of 373.88 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide is sourced from PubChem (CID 108955203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).