(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone

C19H18F2N2O — CID 110316006

IUPAC(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C19H18F2N2O/c20-16-5-3-14(12-17(16)21)19(24)23-10-7-13-11-15(4-6-18(13)23)22-8-1-2-9-22/h3-6,11-12H,1-2,7-10H2
InChIKeySLHGJFJKGZDHKN-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.77
Rot. Bonds2

About (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone

(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110316006) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID110316006
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C19H18F2N2O/c20-16-5-3-14(12-17(16)21)19(24)23-10-7-13-11-15(4-6-18(13)23)22-8-1-2-9-22/h3-6,11-12H,1-2,7-10H2
InChIKeySLHGJFJKGZDHKN-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
(5-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875817
pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315902
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 26681076
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
(4-chlorophenyl)-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 44624666

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone (CID 110316006) is (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(F)c(F)c1)N1CCc2cc(N3CCCC3)ccc21.
What is the InChIKey of (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is SLHGJFJKGZDHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c20-16-5-3-14(12-17(16)21)19(24)23-10-7-13-11-15(4-6-18(13)23)22-8-1-2-9-22/h3-6,11-12H,1-2,7-10H2.
What are the key properties of (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 328.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110316006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).