N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide

C19H22ClN3O2 — CID 30706805

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H22ClN3O2/c1-12-6-4-7-13(2)19(12)22-10-17(24)21-11-18(25)23-16-9-5-8-15(20)14(16)3/h4-9,22H,10-11H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyPERIZIFWFGBFSW-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide (PubChem CID 30706805) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
PubChem CID30706805
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H22ClN3O2/c1-12-6-4-7-13(2)19(12)22-10-17(24)21-11-18(25)23-16-9-5-8-15(20)14(16)3/h4-9,22H,10-11H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyPERIZIFWFGBFSW-UHFFFAOYSA-N
XLogP3.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(3,5-difluoroanilino)acetamide
CID 24562351
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
CID 24583347
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
3-[[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60537356
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide (CID 30706805) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide is Cc1cccc(C)c1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide?
The InChIKey is PERIZIFWFGBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-12-6-4-7-13(2)19(12)22-10-17(24)21-11-18(25)23-16-9-5-8-15(20)14(16)3/h4-9,22H,10-11H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 30706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).