N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

C16H12ClFN2O2 — CID 108530542

IUPACN-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H12ClFN2O2/c17-12-9-11(5-6-13(12)18)19-15(21)16(22)20-8-7-10-3-1-2-4-14(10)20/h1-6,9H,7-8H2,(H,19,21)
InChIKeyQDLSMUXQLFXXJY-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.01
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108530542) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108530542
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H12ClFN2O2/c17-12-9-11(5-6-13(12)18)19-15(21)16(22)20-8-7-10-3-1-2-4-14(10)20/h1-6,9H,7-8H2,(H,19,21)
InChIKeyQDLSMUXQLFXXJY-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881472
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108531995
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
2-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522344
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 112848727
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108530542) is N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is O=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is QDLSMUXQLFXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c17-12-9-11(5-6-13(12)18)19-15(21)16(22)20-8-7-10-3-1-2-4-14(10)20/h1-6,9H,7-8H2,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 318.74 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108530542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).