N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide

C15H11Cl2N3O — CID 42069791

IUPACN-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H11Cl2N3O/c16-12-5-2-6-13(15(12)17)19-9-14(21)20-11-4-1-3-10(7-11)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyXVEOMHOWTWLSPJ-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.92
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide

N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide (PubChem CID 42069791) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
PubChem CID42069791
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC NameN-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H11Cl2N3O/c16-12-5-2-6-13(15(12)17)19-9-14(21)20-11-4-1-3-10(7-11)8-18/h1-7,19H,9H2,(H,20,21)
InChIKeyXVEOMHOWTWLSPJ-UHFFFAOYSA-N
XLogP3.92
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluoroanilino)-N-(3-cyanophenyl)acetamide
CID 9099516
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide
CID 31418197
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
N-(3-chloro-4-fluorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54815845
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide (CID 42069791) is N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide is N#Cc1cccc(NC(=O)CNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide?
The InChIKey is XVEOMHOWTWLSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c16-12-5-2-6-13(15(12)17)19-9-14(21)20-11-4-1-3-10(7-11)8-18/h1-7,19H,9H2,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide?
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide has a molecular weight of 320.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide is sourced from PubChem (CID 42069791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).