2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide

C20H22Cl3N3O2 — CID 60539073

IUPAC2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C20H22Cl3N3O2/c1-4-20(2,3)26-19(28)13-9-8-12(10-15(13)22)24-11-17(27)25-16-7-5-6-14(21)18(16)23/h5-10,24H,4,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyMGWDRNSEPFBJCR-UHFFFAOYSA-N
MW442.77 g/mol
LogP5.62
Rot. Bonds7

About 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide

2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 60539073) has the molecular formula C20H22Cl3N3O2 and a molecular weight of 442.77 g/mol. Its IUPAC name is 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID60539073
Molecular FormulaC20H22Cl3N3O2
Molecular Weight442.77 g/mol
Exact Mass441.08
IUPAC Name2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C20H22Cl3N3O2/c1-4-20(2,3)26-19(28)13-9-8-12(10-15(13)22)24-11-17(27)25-16-7-5-6-14(21)18(16)23/h5-10,24H,4,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyMGWDRNSEPFBJCR-UHFFFAOYSA-N
XLogP5.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.77
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide with MolForge

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Related Compounds

2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539162
4-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 60539097
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide
CID 60539115
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55917932
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide (CID 60539073) is 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is MGWDRNSEPFBJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3N3O2/c1-4-20(2,3)26-19(28)13-9-8-12(10-15(13)22)24-11-17(27)25-16-7-5-6-14(21)18(16)23/h5-10,24H,4,11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 442.77 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 60539073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).