GLEJGHAVMPYWMG-UHFFFAOYSA-N

Name: GLEJGHAVMPYWMG-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₄ClF₂NO — CID 86666812

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone

SMILESCC(=O)c1cc(Cl)c(C)c(-c2ccncc2)c1-c1cc(F)cc(F)c1

InChIInChI=1S/C20H14ClF2NO/c1-11-18(21)10-17(12(2)25)20(14-7-15(22)9-16(23)8-14)19(11)13-3-5-24-6-4-13/h3-10H,1-2H3

InChIKeyGLEJGHAVMPYWMG-UHFFFAOYSA-N

MW357.79 g/mol

LogP5.86

Rot. Bonds3

About GLEJGHAVMPYWMG-UHFFFAOYSA-N

GLEJGHAVMPYWMG-UHFFFAOYSA-N (PubChem CID 86666812) has the molecular formula C₂₀H₁₄ClF₂NO and a molecular weight of 357.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone.

Molecular Properties

Compound Name	GLEJGHAVMPYWMG-UHFFFAOYSA-N
PubChem CID	86666812
Molecular Formula	C₂₀H₁₄ClF₂NO
Molecular Weight	357.79 g/mol
Exact Mass	357.07
IUPAC Name	1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone
SMILES	CC(=O)c1cc(Cl)c(C)c(-c2ccncc2)c1-c1cc(F)cc(F)c1
InChI	InChI=1S/C20H14ClF2NO/c1-11-18(21)10-17(12(2)25)20(14-7-15(22)9-16(23)8-14)19(11)13-3-5-24-6-4-13/h3-10H,1-2H3
InChIKey	GLEJGHAVMPYWMG-UHFFFAOYSA-N
XLogP	5.86
TPSA	29.96 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	357.79
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of GLEJGHAVMPYWMG-UHFFFAOYSA-N?

The IUPAC name of GLEJGHAVMPYWMG-UHFFFAOYSA-N (CID 86666812) is 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone.

What is the SMILES notation for GLEJGHAVMPYWMG-UHFFFAOYSA-N?

The canonical SMILES for GLEJGHAVMPYWMG-UHFFFAOYSA-N is CC(=O)c1cc(Cl)c(C)c(-c2ccncc2)c1-c1cc(F)cc(F)c1.

What is the InChIKey of GLEJGHAVMPYWMG-UHFFFAOYSA-N?

The InChIKey is GLEJGHAVMPYWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO/c1-11-18(21)10-17(12(2)25)20(14-7-15(22)9-16(23)8-14)19(11)13-3-5-24-6-4-13/h3-10H,1-2H3.

What are the key properties of GLEJGHAVMPYWMG-UHFFFAOYSA-N?

GLEJGHAVMPYWMG-UHFFFAOYSA-N has a molecular weight of 357.79 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for GLEJGHAVMPYWMG-UHFFFAOYSA-N is sourced from PubChem (CID 86666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 86666812 — identifiers, structure, computed properties (public domain)

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