N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide

C17H16Cl2N2O2 — CID 113063841

IUPACN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)21(15-9-5-8-14(18)16(15)19)11-10-20-17(23)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOWDIBTGJIDRTAQ-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide

N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide (PubChem CID 113063841) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
PubChem CID113063841
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-12(22)21(15-9-5-8-14(18)16(15)19)11-10-20-17(23)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOWDIBTGJIDRTAQ-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
CID 113059444
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide (CID 113063841) is N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide is CC(=O)N(CCNC(=O)c1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide?
The InChIKey is OWDIBTGJIDRTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-12(22)21(15-9-5-8-14(18)16(15)19)11-10-20-17(23)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide?
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide is sourced from PubChem (CID 113063841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).