N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide

C21H26ClN3O2 — CID 42913792

IUPACN-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-15(2)16-9-11-17(12-10-16)23-20(26)13-25(3)14-21(27)24-19-8-6-5-7-18(19)22/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWGVZVZLXDVYRJY-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.36
Rot. Bonds8

About N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 42913792) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID42913792
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-15(2)16-9-11-17(12-10-16)23-20(26)13-25(3)14-21(27)24-19-8-6-5-7-18(19)22/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWGVZVZLXDVYRJY-UHFFFAOYSA-N
XLogP4.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439
N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
CID 9037201
2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
N-(2-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9036505
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
CID 18078774
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide (CID 42913792) is N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide is CCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is WGVZVZLXDVYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-15(2)16-9-11-17(12-10-16)23-20(26)13-25(3)14-21(27)24-19-8-6-5-7-18(19)22/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 387.91 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 42913792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).