2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide

C25H33ClN4O2 — CID 60539115

IUPAC2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C25H33ClN4O2/c1-4-25(2,3)29-24(32)21-13-10-19(16-22(21)26)27-17-23(31)28-18-8-11-20(12-9-18)30-14-6-5-7-15-30/h8-13,16,27H,4-7,14-15,17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyYBOAFDZGWIWGGZ-UHFFFAOYSA-N
MW457.02 g/mol
LogP5.30
Rot. Bonds8

About 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide

2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide (PubChem CID 60539115) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide
PubChem CID60539115
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl
InChIInChI=1S/C25H33ClN4O2/c1-4-25(2,3)29-24(32)21-13-10-19(16-22(21)26)27-17-23(31)28-18-8-11-20(12-9-18)30-14-6-5-7-15-30/h8-13,16,27H,4-7,14-15,17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyYBOAFDZGWIWGGZ-UHFFFAOYSA-N
XLogP5.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.02
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539073
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539162
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
4-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 60539097
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzamide
CID 60539322
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide (CID 60539115) is 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide is CCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide?
The InChIKey is YBOAFDZGWIWGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-4-25(2,3)29-24(32)21-13-10-19(16-22(21)26)27-17-23(31)28-18-8-11-20(12-9-18)30-14-6-5-7-15-30/h8-13,16,27H,4-7,14-15,17H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide?
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide has a molecular weight of 457.02 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]amino]benzamide is sourced from PubChem (CID 60539115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).