5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide

C21H22FN3O — CID 131950386

IUPAC5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(CN3CCCC3)c2)cc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O/c1-24-19-8-7-17(22)12-16(19)13-20(24)21(26)23-18-6-4-5-15(11-18)14-25-9-2-3-10-25/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,26)
InChIKeyRBLSYOSVKLHUDK-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.17
Rot. Bonds4

About 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide

5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide (PubChem CID 131950386) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
PubChem CID131950386
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(CN3CCCC3)c2)cc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O/c1-24-19-8-7-17(22)12-16(19)13-20(24)21(26)23-18-6-4-5-15(11-18)14-25-9-2-3-10-25/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,26)
InChIKeyRBLSYOSVKLHUDK-UHFFFAOYSA-N
XLogP4.17
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide
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1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
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1-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
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N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
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2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
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CID 146121744

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide (CID 131950386) is 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2cccc(CN3CCCC3)c2)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
The InChIKey is RBLSYOSVKLHUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-24-19-8-7-17(22)12-16(19)13-20(24)21(26)23-18-6-4-5-15(11-18)14-25-9-2-3-10-25/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,26).
What are the key properties of 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide?
5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 131950386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).