4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide

C18H20ClN3O2 — CID 26507194

IUPAC4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cc(Cl)ccc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12-10-14(19)6-9-16(12)20-11-17(23)21-15-7-4-13(5-8-15)18(24)22(2)3/h4-10,20H,11H2,1-3H3,(H,21,23)
InChIKeyCQYUNFRNSWIFQV-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.40
Rot. Bonds5

About 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 26507194) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID26507194
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cc(Cl)ccc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12-10-14(19)6-9-16(12)20-11-17(23)21-15-7-4-13(5-8-15)18(24)22(2)3/h4-10,20H,11H2,1-3H3,(H,21,23)
InChIKeyCQYUNFRNSWIFQV-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide 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

2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
2-(4-chloro-2-methylanilino)-N-(3,5-dimethoxyphenyl)acetamide
CID 26507119
4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 42069174
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811628
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 26507194) is 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide is Cc1cc(Cl)ccc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is CQYUNFRNSWIFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-10-14(19)6-9-16(12)20-11-17(23)21-15-7-4-13(5-8-15)18(24)22(2)3/h4-10,20H,11H2,1-3H3,(H,21,23).
What are the key properties of 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 26507194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).