N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C13H12Cl2N2O — CID 112524517

IUPACN-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C13H12Cl2N2O/c1-8-5-9(7-16-8)6-12(18)17-11-4-2-3-10(14)13(11)15/h2-5,7,16H,6H2,1H3,(H,17,18)
InChIKeyQSGHTVKHPXIRKX-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.81
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112524517) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112524517
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC NameN-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C13H12Cl2N2O/c1-8-5-9(7-16-8)6-12(18)17-11-4-2-3-10(14)13(11)15/h2-5,7,16H,6H2,1H3,(H,17,18)
InChIKeyQSGHTVKHPXIRKX-UHFFFAOYSA-N
XLogP3.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199172
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362554
2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 113001513
N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112520811
N-(2,3-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997822
N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766
N-(2,3-dichlorophenyl)-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 113212316
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112524517) is N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is Cc1cc(CC(=O)Nc2cccc(Cl)c2Cl)c[nH]1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is QSGHTVKHPXIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-5-9(7-16-8)6-12(18)17-11-4-2-3-10(14)13(11)15/h2-5,7,16H,6H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 283.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112524517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).