2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide

C17H26ClN3O2 — CID 60539228

IUPAC2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-5-9-19-15(22)11-20-12-7-8-13(14(18)10-12)16(23)21-17(3,4)6-2/h7-8,10,20H,5-6,9,11H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyYPNVXHPHNWIPIE-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.20
Rot. Bonds8

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

2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide (PubChem CID 60539228) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
PubChem CID60539228
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-5-9-19-15(22)11-20-12-7-8-13(14(18)10-12)16(23)21-17(3,4)6-2/h7-8,10,20H,5-6,9,11H2,1-4H3,(H,19,22)(H,21,23)
InChIKeyYPNVXHPHNWIPIE-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)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-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539162
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-(4-piperidin-1-ylanilino)ethyl]amino]benzamide
CID 60539115
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-propylacetamide
CID 60539207
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzamide
CID 60539322
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 119950281

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide (CID 60539228) is 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide is CCCNC(=O)CNc1ccc(C(=O)NC(C)(C)CC)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The InChIKey is YPNVXHPHNWIPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-5-9-19-15(22)11-20-12-7-8-13(14(18)10-12)16(23)21-17(3,4)6-2/h7-8,10,20H,5-6,9,11H2,1-4H3,(H,19,22)(H,21,23).
What are the key properties of 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide has a molecular weight of 339.87 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide is sourced from PubChem (CID 60539228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).