(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone

C20H16F2N2O — CID 166205131

IUPAC(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCc1ccccc1C1=CCN(C(=O)c2cc3c(F)ccc(F)c3[nH]2)C1
InChIInChI=1S/C20H16F2N2O/c1-12-4-2-3-5-14(12)13-8-9-24(11-13)20(25)18-10-15-16(21)6-7-17(22)19(15)23-18/h2-8,10,23H,9,11H2,1H3
InChIKeyLZQDERACRNSFSO-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.29
Rot. Bonds2

About (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone

(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 166205131) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID166205131
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCc1ccccc1C1=CCN(C(=O)c2cc3c(F)ccc(F)c3[nH]2)C1
InChIInChI=1S/C20H16F2N2O/c1-12-4-2-3-5-14(12)13-8-9-24(11-13)20(25)18-10-15-16(21)6-7-17(22)19(15)23-18/h2-8,10,23H,9,11H2,1H3
InChIKeyLZQDERACRNSFSO-UHFFFAOYSA-N
XLogP4.29
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-iodo-1H-pyrrol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 166205124
(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 166205152
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(7-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 166251917
[1-(4-chlorophenyl)cyclopropyl]-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 66661949
(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 166320882
3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 151683948
2-(3-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)-1-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]ethanone
CID 167828857
[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-(3-naphthalen-1-yl-2,5-dihydropyrrol-1-yl)methanone
CID 166363925
(7-fluoro-4-methoxy-1H-indol-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 136538978
(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
CID 139007473
2-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]ethanone
CID 166277844
(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167843808

Frequently Asked Questions

What is the IUPAC name of (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone (CID 166205131) is (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone is Cc1ccccc1C1=CCN(C(=O)c2cc3c(F)ccc(F)c3[nH]2)C1.
What is the InChIKey of (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is LZQDERACRNSFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-12-4-2-3-5-14(12)13-8-9-24(11-13)20(25)18-10-15-16(21)6-7-17(22)19(15)23-18/h2-8,10,23H,9,11H2,1H3.
What are the key properties of (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone?
(4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 338.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-difluoro-1H-indol-2-yl)-[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 166205131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).