2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C20H23ClN4O3 — CID 56512821

IUPAC2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H23ClN4O3/c1-13-4-6-15(7-5-13)24-19(27)12-25(3)20(28)11-22-18-10-16(23-14(2)26)8-9-17(18)21/h4-10,22H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyCKRPFBYIRJOVMU-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.12
Rot. Bonds7

About 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 56512821) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID56512821
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H23ClN4O3/c1-13-4-6-15(7-5-13)24-19(27)12-25(3)20(28)11-22-18-10-16(23-14(2)26)8-9-17(18)21/h4-10,22H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyCKRPFBYIRJOVMU-UHFFFAOYSA-N
XLogP3.12
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2672755
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide
CID 24583329
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
(E)-3-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9494338
(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9251455
ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate
CID 24614987
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 56512821) is 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is CC(=O)Nc1ccc(Cl)c(NCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is CKRPFBYIRJOVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-13-4-6-15(7-5-13)24-19(27)12-25(3)20(28)11-22-18-10-16(23-14(2)26)8-9-17(18)21/h4-10,22H,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 402.88 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 56512821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).