2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C18H18Cl2N2O2 — CID 2672755

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-3-6-14(7-4-12)21-17(23)11-22(2)18(24)10-13-5-8-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyDXWGMCMJYVTHHK-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.94
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 2672755) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID2672755
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-3-6-14(7-4-12)21-17(23)11-22(2)18(24)10-13-5-8-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyDXWGMCMJYVTHHK-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)methyl-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9251455
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27018713
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56511069
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 56512821
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
(E)-3-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9494338
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 2672755) is 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is DXWGMCMJYVTHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12-3-6-14(7-4-12)21-17(23)11-22(2)18(24)10-13-5-8-15(19)16(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 365.26 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 2672755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).