4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide

C19H19Cl3N2O4 — CID 55916919

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H19Cl3N2O4/c1-3-24(9-11-4-5-13(20)14(21)6-11)19(26)12-7-15(22)18(16(8-12)27-2)28-10-17(23)25/h4-8H,3,9-10H2,1-2H3,(H2,23,25)
InChIKeyPDLMVBKKBLYLIN-UHFFFAOYSA-N
MW445.73 g/mol
LogP4.18
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide (PubChem CID 55916919) has the molecular formula C19H19Cl3N2O4 and a molecular weight of 445.73 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide
PubChem CID55916919
Molecular FormulaC19H19Cl3N2O4
Molecular Weight445.73 g/mol
Exact Mass444.04
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C19H19Cl3N2O4/c1-3-24(9-11-4-5-13(20)14(21)6-11)19(26)12-7-15(22)18(16(8-12)27-2)28-10-17(23)25/h4-8H,3,9-10H2,1-2H3,(H2,23,25)
InChIKeyPDLMVBKKBLYLIN-UHFFFAOYSA-N
XLogP4.18
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.73
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 42143260
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 52511585
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-5-methoxy-N-propylbenzamide
CID 135737967
methyl 3-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]benzoate
CID 55915257
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
CID 7632298

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide (CID 55916919) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide?
The InChIKey is PDLMVBKKBLYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O4/c1-3-24(9-11-4-5-13(20)14(21)6-11)19(26)12-7-15(22)18(16(8-12)27-2)28-10-17(23)25/h4-8H,3,9-10H2,1-2H3,(H2,23,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide has a molecular weight of 445.73 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide is sourced from PubChem (CID 55916919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).