2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide

C17H13ClF2N2O — CID 113212078

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13ClF2N2O/c1-9-12(13-6-10(18)2-5-16(13)21-9)8-17(23)22-11-3-4-14(19)15(20)7-11/h2-7,21H,8H2,1H3,(H,22,23)
InChIKeyQVGMSUMXVIWLTK-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.59
Rot. Bonds3

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 113212078) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
PubChem CID113212078
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13ClF2N2O/c1-9-12(13-6-10(18)2-5-16(13)21-9)8-17(23)22-11-3-4-14(19)15(20)7-11/h2-7,21H,8H2,1H3,(H,22,23)
InChIKeyQVGMSUMXVIWLTK-UHFFFAOYSA-N
XLogP4.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
methyl 4-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212048
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
N-(3,4-dichlorophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212248
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide (CID 113212078) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide is Cc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is QVGMSUMXVIWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c1-9-12(13-6-10(18)2-5-16(13)21-9)8-17(23)22-11-3-4-14(19)15(20)7-11/h2-7,21H,8H2,1H3,(H,22,23).
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide?
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 334.75 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113212078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).