N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide

C19H20Cl2N2O4 — CID 78806129

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O4/c1-23(11-18(24)22-13-4-6-15(20)16(21)10-13)19(25)9-12-8-14(26-2)5-7-17(12)27-3/h4-8,10H,9,11H2,1-3H3,(H,22,24)
InChIKeyPETICOSPKYMKDL-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide (PubChem CID 78806129) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
PubChem CID78806129
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(OC)c(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H20Cl2N2O4/c1-23(11-18(24)22-13-4-6-15(20)16(21)10-13)19(25)9-12-8-14(26-2)5-7-17(12)27-3/h4-8,10H,9,11H2,1-3H3,(H,22,24)
InChIKeyPETICOSPKYMKDL-UHFFFAOYSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
CID 38621423
5-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 31182564
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 27793346
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
(E)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 30253911
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 55559726
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide (CID 78806129) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide is COc1ccc(OC)c(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
The InChIKey is PETICOSPKYMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-23(11-18(24)22-13-4-6-15(20)16(21)10-13)19(25)9-12-8-14(26-2)5-7-17(12)27-3/h4-8,10H,9,11H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide has a molecular weight of 411.29 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-(2,5-dimethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 78806129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).