1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C18H17FN2O2 — CID 18587979

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-20-18(23)16-11-13-4-2-3-5-15(13)21(16)17(22)10-12-6-8-14(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyDGMCJLTWFVDVMD-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 18587979) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID18587979
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c1-20-18(23)16-11-13-4-2-3-5-15(13)21(16)17(22)10-12-6-8-14(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyDGMCJLTWFVDVMD-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 18587979) is 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is DGMCJLTWFVDVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-20-18(23)16-11-13-4-2-3-5-15(13)21(16)17(22)10-12-6-8-14(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,23).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).