(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C19H18FN3O — CID 56867081

IUPAC(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C19H18FN3O/c1-23(11-15-9-13-8-14(20)6-7-17(13)21-15)19(24)18-10-12-4-2-3-5-16(12)22-18/h2-9,18,21-22H,10-11H2,1H3/t18-/m0/s1
InChIKeyPSBONNGWHBMTRO-SFHVURJKSA-N
MW323.37 g/mol
LogP3.30
Rot. Bonds3

About (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 56867081) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID56867081
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C19H18FN3O/c1-23(11-15-9-13-8-14(20)6-7-17(13)21-15)19(24)18-10-12-4-2-3-5-16(12)22-18/h2-9,18,21-22H,10-11H2,1H3/t18-/m0/s1
InChIKeyPSBONNGWHBMTRO-SFHVURJKSA-N
XLogP3.30
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 56867081) is (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PSBONNGWHBMTRO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-23(11-15-9-13-8-14(20)6-7-17(13)21-15)19(24)18-10-12-4-2-3-5-16(12)22-18/h2-9,18,21-22H,10-11H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 56867081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).