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

C22H26FN3O3 — CID 146394933

IUPAC4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCC1CN(c2cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c2)CCO1
InChIInChI=1S/C22H26FN3O3/c1-14-6-7-19(23)18-11-20(25-21(14)18)22(27)24-15-4-3-5-16(10-15)26-8-9-29-17(12-26)13-28-2/h3-7,10,17,20,25H,8-9,11-13H2,1-2H3,(H,24,27)
InChIKeyZWZKMAPDBOXJHT-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.96
Rot. Bonds5

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

4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394933) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394933
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOCC1CN(c2cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c2)CCO1
InChIInChI=1S/C22H26FN3O3/c1-14-6-7-19(23)18-11-20(25-21(14)18)22(27)24-15-4-3-5-16(10-15)26-8-9-29-17(12-26)13-28-2/h3-7,10,17,20,25H,8-9,11-13H2,1-2H3,(H,24,27)
InChIKeyZWZKMAPDBOXJHT-UHFFFAOYSA-N
XLogP2.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[3-(2-cyclopropylmorpholin-4-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394809
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
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716
4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643730
N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643349
N-[3-[(3S,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395557
N-[3-(6-acetyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394742
N-[3-[1-(2,2-difluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394826
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
N-[3-(5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395528

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394933) is 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is COCC1CN(c2cccc(NC(=O)C3Cc4c(F)ccc(C)c4N3)c2)CCO1.
What is the InChIKey of 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is ZWZKMAPDBOXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-14-6-7-19(23)18-11-20(25-21(14)18)22(27)24-15-4-3-5-16(10-15)26-8-9-29-17(12-26)13-28-2/h3-7,10,17,20,25H,8-9,11-13H2,1-2H3,(H,24,27).
What are the key properties of 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).