(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone

C19H16F2N2O — CID 113088344

IUPAC(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H16F2N2O/c20-15-6-5-13(9-16(15)21)19(24)23-8-7-14(11-23)18-10-12-3-1-2-4-17(12)22-18/h1-6,9-10,14,22H,7-8,11H2
InChIKeyQQPAXNUXTHOEHB-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.08
Rot. Bonds2

About (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone

(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 113088344) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID113088344
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H16F2N2O/c20-15-6-5-13(9-16(15)21)19(24)23-8-7-14(11-23)18-10-12-3-1-2-4-17(12)22-18/h1-6,9-10,14,22H,7-8,11H2
InChIKeyQQPAXNUXTHOEHB-UHFFFAOYSA-N
XLogP4.08
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone (CID 113088344) is (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QQPAXNUXTHOEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c20-15-6-5-13(9-16(15)21)19(24)23-8-7-14(11-23)18-10-12-3-1-2-4-17(12)22-18/h1-6,9-10,14,22H,7-8,11H2.
What are the key properties of (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone?
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 326.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113088344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).