1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide

C22H24FN3O3 — CID 53160375

IUPAC1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24FN3O3/c23-19-5-3-17(4-6-19)22(28)26-9-7-16-1-2-18(15-20(16)26)21(27)24-8-10-25-11-13-29-14-12-25/h1-6,15H,7-14H2,(H,24,27)
InChIKeyFWZNBPKCPNYOBZ-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.09
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide

1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 53160375) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
PubChem CID53160375
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24FN3O3/c23-19-5-3-17(4-6-19)22(28)26-9-7-16-1-2-18(15-20(16)26)21(27)24-8-10-25-11-13-29-14-12-25/h1-6,15H,7-14H2,(H,24,27)
InChIKeyFWZNBPKCPNYOBZ-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160376
1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
CID 50847714
1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 53160350
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 71840637
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
CID 53160371
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 92671284
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide (CID 53160375) is 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide is O=C(NCCN1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is FWZNBPKCPNYOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-19-5-3-17(4-6-19)22(28)26-9-7-16-1-2-18(15-20(16)26)21(27)24-8-10-25-11-13-29-14-12-25/h1-6,15H,7-14H2,(H,24,27).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide?
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).