N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide

C19H22ClN3O2 — CID 26505954

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
SMILESCc1cccc(NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1C
InChIInChI=1S/C19H22ClN3O2/c1-13-7-6-10-16(14(13)2)21-11-19(25)23(3)12-18(24)22-17-9-5-4-8-15(17)20/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyNXUAXYPFOWRWAF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide (PubChem CID 26505954) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
PubChem CID26505954
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
SMILESCc1cccc(NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1C
InChIInChI=1S/C19H22ClN3O2/c1-13-7-6-10-16(14(13)2)21-11-19(25)23(3)12-18(24)22-17-9-5-4-8-15(17)20/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyNXUAXYPFOWRWAF-UHFFFAOYSA-N
XLogP3.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2531594
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-methylacetamide
CID 26508658
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-piperidin-1-ylanilino)acetamide
CID 26539561
2,4-dichloro-N-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27808106
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide (CID 26505954) is N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide is Cc1cccc(NCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1C.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide?
The InChIKey is NXUAXYPFOWRWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-7-6-10-16(14(13)2)21-11-19(25)23(3)12-18(24)22-17-9-5-4-8-15(17)20/h4-10,21H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide has a molecular weight of 359.86 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide is sourced from PubChem (CID 26505954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).