2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

C20H24ClN3O2 — CID 9287854

IUPAC2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H24ClN3O2/c1-13-6-5-7-17(15(13)3)22-19(25)11-24(4)12-20(26)23-18-10-16(21)9-8-14(18)2/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyOQMXXGWZHHCPTB-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.77
Rot. Bonds6

About 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9287854) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9287854
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H24ClN3O2/c1-13-6-5-7-17(15(13)3)22-19(25)11-24(4)12-20(26)23-18-10-16(21)9-8-14(18)2/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyOQMXXGWZHHCPTB-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287612
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287679
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 9287854) is 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is OQMXXGWZHHCPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-13-6-5-7-17(15(13)3)22-19(25)11-24(4)12-20(26)23-18-10-16(21)9-8-14(18)2/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 373.88 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9287854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).