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

C19H19FN2O2 — CID 146394683

IUPAC4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3COC3)c1)C2
InChIInChI=1S/C19H19FN2O2/c1-11-5-6-16(20)15-8-17(22-18(11)15)19(23)21-14-4-2-3-12(7-14)13-9-24-10-13/h2-7,13,17,22H,8-10H2,1H3,(H,21,23)
InChIKeyDTCCOWQDJZYUEF-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.22
Rot. Bonds3

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

4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394683) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394683
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3COC3)c1)C2
InChIInChI=1S/C19H19FN2O2/c1-11-5-6-16(20)15-8-17(22-18(11)15)19(23)21-14-4-2-3-12(7-14)13-9-24-10-13/h2-7,13,17,22H,8-10H2,1H3,(H,21,23)
InChIKeyDTCCOWQDJZYUEF-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-7-methyl-N-(3-pyrazolidin-3-ylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146643765
4-fluoro-7-methyl-N-[3-(3-methylimidazolidin-4-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395040
4-fluoro-7-methyl-N-[3-(pyrrolidine-2-carbonylamino)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395559
4-fluoro-7-methyl-N-[3-[1-[2-(propylamino)ethyl]pyrazolidin-4-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644490
N-[3-(1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643336
4-fluoro-N-[3-[4-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394912
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395048
4-fluoro-7-methyl-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395147
N-[3-(2-cyclopropylmorpholin-4-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394809
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 146394683) is 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(C3COC3)c1)C2.
What is the InChIKey of 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is DTCCOWQDJZYUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-11-5-6-16(20)15-8-17(22-18(11)15)19(23)21-14-4-2-3-12(7-14)13-9-24-10-13/h2-7,13,17,22H,8-10H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[3-(oxetan-3-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).