N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide

C17H16Cl2N2O2 — CID 9411502

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H16Cl2N2O2/c1-10-3-4-12(7-11(10)2)17(23)20-9-16(22)21-13-5-6-14(18)15(19)8-13/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYBNNYAGZSZRVPY-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 9411502) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID9411502
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C17H16Cl2N2O2/c1-10-3-4-12(7-11(10)2)17(23)20-9-16(22)21-13-5-6-14(18)15(19)8-13/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYBNNYAGZSZRVPY-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-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

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-(3,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796648
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 9411502) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is YBNNYAGZSZRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10-3-4-12(7-11(10)2)17(23)20-9-16(22)21-13-5-6-14(18)15(19)8-13/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 351.23 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 9411502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).