N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide

C19H21ClN2O4 — CID 113059429

IUPACN-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-13(23)22(16-7-5-4-6-15(16)20)11-10-21-19(24)14-8-9-17(25-2)18(12-14)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyODYACBKHHIDLMT-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide

N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide (PubChem CID 113059429) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
PubChem CID113059429
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-13(23)22(16-7-5-4-6-15(16)20)11-10-21-19(24)14-8-9-17(25-2)18(12-14)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyODYACBKHHIDLMT-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2-chloroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113059443
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
CID 113060757
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
CID 113059444
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide (CID 113059429) is N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCN(C(C)=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is ODYACBKHHIDLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-13(23)22(16-7-5-4-6-15(16)20)11-10-21-19(24)14-8-9-17(25-2)18(12-14)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide?
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 376.84 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113059429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).