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

C18H16F2N2O2 — CID 122192204

IUPAC1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2O2/c1-21-18(24)16-10-12-4-2-3-5-15(12)22(16)17(23)9-11-6-7-13(19)14(20)8-11/h2-8,16H,9-10H2,1H3,(H,21,24)
InChIKeyUSNYMDOJVXKVIB-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.21
Rot. Bonds3

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

1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 122192204) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID122192204
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2O2/c1-21-18(24)16-10-12-4-2-3-5-15(12)22(16)17(23)9-11-6-7-13(19)14(20)8-11/h2-8,16H,9-10H2,1H3,(H,21,24)
InChIKeyUSNYMDOJVXKVIB-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 122192204) is 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is USNYMDOJVXKVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-21-18(24)16-10-12-4-2-3-5-15(12)22(16)17(23)9-11-6-7-13(19)14(20)8-11/h2-8,16H,9-10H2,1H3,(H,21,24).
What are the key properties of 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 122192204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).