(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

C19H14F2N2O — CID 166205152

IUPAC(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cc2c(F)c(F)ccc2[nH]1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C19H14F2N2O/c20-15-6-7-16-14(18(15)21)10-17(22-16)19(24)23-9-8-13(11-23)12-4-2-1-3-5-12/h1-8,10,22H,9,11H2
InChIKeyWMTQGWXYHFWBNN-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.99
Rot. Bonds2

About (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 166205152) has the molecular formula C19H14F2N2O and a molecular weight of 324.33 g/mol. Its IUPAC name is (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID166205152
Molecular FormulaC19H14F2N2O
Molecular Weight324.33 g/mol
Exact Mass324.11
IUPAC Name(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESO=C(c1cc2c(F)c(F)ccc2[nH]1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C19H14F2N2O/c20-15-6-7-16-14(18(15)21)10-17(22-16)19(24)23-9-8-13(11-23)12-4-2-1-3-5-12/h1-8,10,22H,9,11H2
InChIKeyWMTQGWXYHFWBNN-UHFFFAOYSA-N
XLogP3.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 166205152) is (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is O=C(c1cc2c(F)c(F)ccc2[nH]1)N1CC=C(c2ccccc2)C1.
What is the InChIKey of (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is WMTQGWXYHFWBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O/c20-15-6-7-16-14(18(15)21)10-17(22-16)19(24)23-9-8-13(11-23)12-4-2-1-3-5-12/h1-8,10,22H,9,11H2.
What are the key properties of (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 324.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 166205152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).