4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

C20H23FN4O — CID 146395040

IUPAC4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CNCN3C)c1)C2
InChIInChI=1S/C20H23FN4O/c1-12-6-7-16(21)15-9-17(24-19(12)15)20(26)23-14-5-3-4-13(8-14)18-10-22-11-25(18)2/h3-8,17-18,22,24H,9-11H2,1-2H3,(H,23,26)
InChIKeyKBEZELQCXSZPCN-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.64
Rot. Bonds3

About 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395040) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395040
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CNCN3C)c1)C2
InChIInChI=1S/C20H23FN4O/c1-12-6-7-16(21)15-9-17(24-19(12)15)20(26)23-14-5-3-4-13(8-14)18-10-22-11-25(18)2/h3-8,17-18,22,24H,9-11H2,1-2H3,(H,23,26)
InChIKeyKBEZELQCXSZPCN-UHFFFAOYSA-N
XLogP2.64
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146395040) is 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3CNCN3C)c1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is KBEZELQCXSZPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-12-6-7-16(21)15-9-17(24-19(12)15)20(26)23-14-5-3-4-13(8-14)18-10-22-11-25(18)2/h3-8,17-18,22,24H,9-11H2,1-2H3,(H,23,26).
What are the key properties of 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).