1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole

C20H19ClFNO — CID 142758293

IUPAC1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole
SMILESCc1c(COCc2ccc(F)cc2)ccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFNO/c1-15-18(14-24-13-17-4-8-20(22)9-5-17)10-11-23(15)12-16-2-6-19(21)7-3-16/h2-11H,12-14H2,1H3
InChIKeyMGLZOWRGWJJSJK-UHFFFAOYSA-N
MW343.83 g/mol
LogP5.35
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole

1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole (PubChem CID 142758293) has the molecular formula C20H19ClFNO and a molecular weight of 343.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole
PubChem CID142758293
Molecular FormulaC20H19ClFNO
Molecular Weight343.83 g/mol
Exact Mass343.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole
SMILESCc1c(COCc2ccc(F)cc2)ccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFNO/c1-15-18(14-24-13-17-4-8-20(22)9-5-17)10-11-23(15)12-16-2-6-19(21)7-3-16/h2-11H,12-14H2,1H3
InChIKeyMGLZOWRGWJJSJK-UHFFFAOYSA-N
XLogP5.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.83
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3,4-difluorophenyl)methyl]-2-methylpyrrol-3-yl]methanamine
CID 114195967
ethyl 1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxylate
CID 46835601
1-benzyl-3-ethyl-2-methylpyrrole
CID 135021751
3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124497
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
1-[[4-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-2-methylpyridine-4-thione
CID 66559319
1-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520207
5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124394
1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one
CID 69440465
4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
CID 112651663
N-[[2-methyl-1-[(4-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 114196044

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole (CID 142758293) is 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole is Cc1c(COCc2ccc(F)cc2)ccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole?
The InChIKey is MGLZOWRGWJJSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO/c1-15-18(14-24-13-17-4-8-20(22)9-5-17)10-11-23(15)12-16-2-6-19(21)7-3-16/h2-11H,12-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole?
1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole has a molecular weight of 343.83 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methoxymethyl]-2-methylpyrrole is sourced from PubChem (CID 142758293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).