(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

C15H16FNO — CID 113399947

IUPAC(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc(F)ccc1C(=O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C15H16FNO/c1-8-7-12(16)5-6-13(8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3
InChIKeyXLXQFWHBKLWOPZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.62
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 113399947) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID113399947
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc(F)ccc1C(=O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C15H16FNO/c1-8-7-12(16)5-6-13(8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3
InChIKeyXLXQFWHBKLWOPZ-UHFFFAOYSA-N
XLogP3.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63925434
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 81109831
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63926863

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 113399947) is (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1cc(F)ccc1C(=O)c1[nH]c(C)c(C)c1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is XLXQFWHBKLWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-8-7-12(16)5-6-13(8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 245.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 113399947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).