3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

C22H26ClN3O2 — CID 54831343

IUPAC3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-10-11-17(23)13-20(15)26-21(27)14-24-19-9-5-6-16(12-19)22(28)25-18-7-3-2-4-8-18/h5-6,9-13,18,24H,2-4,7-8,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyGTKZKVIDBAXUBV-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.76
Rot. Bonds6

About 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (PubChem CID 54831343) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
PubChem CID54831343
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H26ClN3O2/c1-15-10-11-17(23)13-20(15)26-21(27)14-24-19-9-5-6-16(12-19)22(28)25-18-7-3-2-4-8-18/h5-6,9-13,18,24H,2-4,7-8,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyGTKZKVIDBAXUBV-UHFFFAOYSA-N
XLogP4.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide 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

3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837717
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
N-cyclohexyl-3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831126
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 139348505
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (CID 54831343) is 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is Cc1ccc(Cl)cc1NC(=O)CNc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The InChIKey is GTKZKVIDBAXUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-10-11-17(23)13-20(15)26-21(27)14-24-19-9-5-6-16(12-19)22(28)25-18-7-3-2-4-8-18/h5-6,9-13,18,24H,2-4,7-8,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide has a molecular weight of 399.92 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54831343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).