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

C21H26ClN3O2 — CID 108955230

IUPACN'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C21H26ClN3O2/c1-5-25(6-2)17-8-10-19(15(4)12-17)24-21(27)13-20(26)23-18-9-7-16(22)11-14(18)3/h7-12H,5-6,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyXHUSQJQVDYAMJK-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.77
Rot. Bonds7

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

N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide (PubChem CID 108955230) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
PubChem CID108955230
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C21H26ClN3O2/c1-5-25(6-2)17-8-10-19(15(4)12-17)24-21(27)13-20(26)23-18-9-7-16(22)11-14(18)3/h7-12H,5-6,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyXHUSQJQVDYAMJK-UHFFFAOYSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.77
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)-2-methylphenyl]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)phenyl]propanediamide
CID 108955203
2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 1298372
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
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-(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)-2-(diethylamino)acetamide;hydrochloride
CID 131885103

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide (CID 108955230) is N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(Cl)cc2C)c(C)c1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide?
The InChIKey is XHUSQJQVDYAMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-5-25(6-2)17-8-10-19(15(4)12-17)24-21(27)13-20(26)23-18-9-7-16(22)11-14(18)3/h7-12H,5-6,13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide?
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide has a molecular weight of 387.91 g/mol, XLogP of 4.77, 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)-2-methylphenyl]propanediamide is sourced from PubChem (CID 108955230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).