3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide

C19H20Cl2N2O3 — CID 9161434

IUPAC3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
SMILESCOc1c(Cl)cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-11-6-5-7-16(12(11)2)22-17(24)10-23(3)19(25)13-8-14(20)18(26-4)15(21)9-13/h5-9H,10H2,1-4H3,(H,22,24)
InChIKeySZCBJCZHBNVGPB-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.33
Rot. Bonds5

About 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide

3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide (PubChem CID 9161434) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
PubChem CID9161434
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
SMILESCOc1c(Cl)cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-11-6-5-7-16(12(11)2)22-17(24)10-23(3)19(25)13-8-14(20)18(26-4)15(21)9-13/h5-9H,10H2,1-4H3,(H,22,24)
InChIKeySZCBJCZHBNVGPB-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9378681
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9161330
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503563

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide (CID 9161434) is 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide is COc1c(Cl)cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
The InChIKey is SZCBJCZHBNVGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-11-6-5-7-16(12(11)2)22-17(24)10-23(3)19(25)13-8-14(20)18(26-4)15(21)9-13/h5-9H,10H2,1-4H3,(H,22,24).
What are the key properties of 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide?
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide has a molecular weight of 395.29 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 9161434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).