2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide

C20H22Cl2FN3O2 — CID 60539162

IUPAC2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C20H22Cl2FN3O2/c1-4-20(2,3)26-19(28)14-7-6-13(10-15(14)22)24-11-18(27)25-17-9-12(21)5-8-16(17)23/h5-10,24H,4,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyRWGNEGMADRRZLA-UHFFFAOYSA-N
MW426.32 g/mol
LogP5.10
Rot. Bonds7

About 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide

2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 60539162) has the molecular formula C20H22Cl2FN3O2 and a molecular weight of 426.32 g/mol. Its IUPAC name is 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID60539162
Molecular FormulaC20H22Cl2FN3O2
Molecular Weight426.32 g/mol
Exact Mass425.11
IUPAC Name2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C20H22Cl2FN3O2/c1-4-20(2,3)26-19(28)14-7-6-13(10-15(14)22)24-11-18(27)25-17-9-12(21)5-8-16(17)23/h5-10,24H,4,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyRWGNEGMADRRZLA-UHFFFAOYSA-N
XLogP5.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide with MolForge

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Related Compounds

2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539073
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
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60672268
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzamide
CID 60539322
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide (CID 60539162) is 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is RWGNEGMADRRZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2FN3O2/c1-4-20(2,3)26-19(28)14-7-6-13(10-15(14)22)24-11-18(27)25-17-9-12(21)5-8-16(17)23/h5-10,24H,4,11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 426.32 g/mol, XLogP of 5.10, 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-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 60539162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).