N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide

C18H16Cl2N2O — CID 113211498

IUPACN-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1C
InChIInChI=1S/C18H16Cl2N2O/c1-11-16(15-5-3-4-6-17(15)22(11)2)10-18(23)21-14-8-12(19)7-13(20)9-14/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyQNPSPLXTKYQCGZ-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.97
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide

N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide (PubChem CID 113211498) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
PubChem CID113211498
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC NameN-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1C
InChIInChI=1S/C18H16Cl2N2O/c1-11-16(15-5-3-4-6-17(15)22(11)2)10-18(23)21-14-8-12(19)7-13(20)9-14/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyQNPSPLXTKYQCGZ-UHFFFAOYSA-N
XLogP4.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
2-(1,2-dimethylindol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110768894
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211482
2-(1,2-dimethylindol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113211478
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
N-[4-(diethylamino)-2-methylphenyl]-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211503
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113211396
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide (CID 113211498) is N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide is Cc1c(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1C.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
The InChIKey is QNPSPLXTKYQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-11-16(15-5-3-4-6-17(15)22(11)2)10-18(23)21-14-8-12(19)7-13(20)9-14/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide has a molecular weight of 347.25 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide is sourced from PubChem (CID 113211498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).