N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide

C19H20Cl2N2O3 — CID 113060757

IUPACN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
SMILESCCOc1ccccc1N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C(C)=O
InChIInChI=1S/C19H20Cl2N2O3/c1-3-26-18-7-5-4-6-17(18)23(13(2)24)11-10-22-19(25)14-8-9-15(20)16(21)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyMUFMWZOORIDGCU-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide

N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide (PubChem CID 113060757) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
PubChem CID113060757
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
SMILESCCOc1ccccc1N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C(C)=O
InChIInChI=1S/C19H20Cl2N2O3/c1-3-26-18-7-5-4-6-17(18)23(13(2)24)11-10-22-19(25)14-8-9-15(20)16(21)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)
InChIKeyMUFMWZOORIDGCU-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
CID 113060744
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
CID 113060789
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide (CID 113060757) is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide is CCOc1ccccc1N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide?
The InChIKey is MUFMWZOORIDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-3-26-18-7-5-4-6-17(18)23(13(2)24)11-10-22-19(25)14-8-9-15(20)16(21)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide?
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide has a molecular weight of 395.29 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 113060757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).