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

C19H19FN2O2 — CID 53160350

IUPAC1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H19FN2O2/c1-2-10-21-18(23)15-4-3-13-9-11-22(17(13)12-15)19(24)14-5-7-16(20)8-6-14/h3-8,12H,2,9-11H2,1H3,(H,21,23)
InChIKeyZURHUPZLXVGVKJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.17
Rot. Bonds4

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

1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide (PubChem CID 53160350) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
PubChem CID53160350
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H19FN2O2/c1-2-10-21-18(23)15-4-3-13-9-11-22(17(13)12-15)19(24)14-5-7-16(20)8-6-14/h3-8,12H,2,9-11H2,1H3,(H,21,23)
InChIKeyZURHUPZLXVGVKJ-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160376
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 50847617
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
CID 53160371
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
1-benzoyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-6-carboxamide
CID 50847714
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide (CID 53160350) is 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide is CCCNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
The InChIKey is ZURHUPZLXVGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-2-10-21-18(23)15-4-3-13-9-11-22(17(13)12-15)19(24)14-5-7-16(20)8-6-14/h3-8,12H,2,9-11H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide?
1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).