2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide

C22H24Cl3N3O3 — CID 60602985

IUPAC2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl3N3O3/c1-12(2)8-19(28-21(30)15-6-5-14(23)10-16(15)24)22(31)26-11-20(29)27-18-7-4-13(3)9-17(18)25/h4-7,9-10,12,19H,8,11H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyGCDVBHKKQBMTBP-UHFFFAOYSA-N
MW484.81 g/mol
LogP4.85
Rot. Bonds8

About 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 60602985) has the molecular formula C22H24Cl3N3O3 and a molecular weight of 484.81 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID60602985
Molecular FormulaC22H24Cl3N3O3
Molecular Weight484.81 g/mol
Exact Mass483.09
IUPAC Name2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl3N3O3/c1-12(2)8-19(28-21(30)15-6-5-14(23)10-16(15)24)22(31)26-11-20(29)27-18-7-4-13(3)9-17(18)25/h4-7,9-10,12,19H,8,11H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyGCDVBHKKQBMTBP-UHFFFAOYSA-N
XLogP4.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.81
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]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

2,4-dichloro-N-[1-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55328495
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
(2S)-2-[(2-chloro-4-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61195183
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
CID 60602258
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide (CID 60602985) is 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide is Cc1ccc(NC(=O)CNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is GCDVBHKKQBMTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl3N3O3/c1-12(2)8-19(28-21(30)15-6-5-14(23)10-16(15)24)22(31)26-11-20(29)27-18-7-4-13(3)9-17(18)25/h4-7,9-10,12,19H,8,11H2,1-3H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 484.81 g/mol, XLogP of 4.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 60602985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).