N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C19H22ClN3O2 — CID 9287939

IUPACN-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C19H22ClN3O2/c1-13-6-4-9-17(14(13)2)22-19(25)12-23(3)11-18(24)21-16-8-5-7-15(20)10-16/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVLAKNTNNRVOOAS-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.47
Rot. Bonds6

About N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9287939) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9287939
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C19H22ClN3O2/c1-13-6-4-9-17(14(13)2)22-19(25)12-23(3)11-18(24)21-16-8-5-7-15(20)10-16/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVLAKNTNNRVOOAS-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-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
N-(4-chloro-2-fluorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287978
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
CID 108954940
2-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287612
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287679
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 9287939) is N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)c1C.
What is the InChIKey of N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is VLAKNTNNRVOOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-6-4-9-17(14(13)2)22-19(25)12-23(3)11-18(24)21-16-8-5-7-15(20)10-16/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide 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-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9287939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).