3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide

C17H17Cl2N3O2 — CID 87029357

IUPAC3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C17H17Cl2N3O2/c1-10-12(17(24)20-2)4-3-5-14(10)21-9-16(23)22-15-8-11(18)6-7-13(15)19/h3-8,21H,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZTHTWEQSESKOLW-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.71
Rot. Bonds5

About 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide

3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide (PubChem CID 87029357) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide
PubChem CID87029357
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C17H17Cl2N3O2/c1-10-12(17(24)20-2)4-3-5-14(10)21-9-16(23)22-15-8-11(18)6-7-13(15)19/h3-8,21H,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZTHTWEQSESKOLW-UHFFFAOYSA-N
XLogP3.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870
N-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)acetamide
CID 54813314
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 38253484
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide (CID 87029357) is 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1C.
What is the InChIKey of 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide?
The InChIKey is ZTHTWEQSESKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-10-12(17(24)20-2)4-3-5-14(10)21-9-16(23)22-15-8-11(18)6-7-13(15)19/h3-8,21H,9H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide?
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide has a molecular weight of 366.25 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 87029357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).