CGXMXHJCUOGLIT-UHFFFAOYSA-N

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

C₂₇H₂₇F₃N₂O₄ — CID 11691822

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

IUPAC3-[[4-[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]butyl]benzoyl]amino]propanoic acid

SMILESCC(C)CC(Oc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1

InChIInChI=1S/C27H27F3N2O4/c1-17(2)15-24(19-3-5-20(6-4-19)26(35)31-14-13-25(33)34)36-22-10-7-18(8-11-22)23-12-9-21(16-32-23)27(28,29)30/h3-12,16-17,24H,13-15H2,1-2H3,(H,31,35)(H,33,34)

InChIKeyCGXMXHJCUOGLIT-UHFFFAOYSA-N

MW500.52 g/mol

LogP6.14

Rot. Bonds10

About CGXMXHJCUOGLIT-UHFFFAOYSA-N

CGXMXHJCUOGLIT-UHFFFAOYSA-N (PubChem CID 11691822) has the molecular formula C₂₇H₂₇F₃N₂O₄ and a molecular weight of 500.52 g/mol. Its IUPAC name is 3-[[4-[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]butyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name	CGXMXHJCUOGLIT-UHFFFAOYSA-N
PubChem CID	11691822
Molecular Formula	C₂₇H₂₇F₃N₂O₄
Molecular Weight	500.52 g/mol
Exact Mass	500.19
IUPAC Name	3-[[4-[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]butyl]benzoyl]amino]propanoic acid
SMILES	CC(C)CC(Oc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1
InChI	InChI=1S/C27H27F3N2O4/c1-17(2)15-24(19-3-5-20(6-4-19)26(35)31-14-13-25(33)34)36-22-10-7-18(8-11-22)23-12-9-21(16-32-23)27(28,29)30/h3-12,16-17,24H,13-15H2,1-2H3,(H,31,35)(H,33,34)
InChIKey	CGXMXHJCUOGLIT-UHFFFAOYSA-N
XLogP	6.14
TPSA	88.52 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	10
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of CGXMXHJCUOGLIT-UHFFFAOYSA-N (CID 11691822) is 3-[[4-[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]butyl]benzoyl]amino]propanoic acid.

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

The canonical SMILES for CGXMXHJCUOGLIT-UHFFFAOYSA-N is CC(C)CC(Oc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1.

What is the InChIKey of CGXMXHJCUOGLIT-UHFFFAOYSA-N?

The InChIKey is CGXMXHJCUOGLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O4/c1-17(2)15-24(19-3-5-20(6-4-19)26(35)31-14-13-25(33)34)36-22-10-7-18(8-11-22)23-12-9-21(16-32-23)27(28,29)30/h3-12,16-17,24H,13-15H2,1-2H3,(H,31,35)(H,33,34).

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

CGXMXHJCUOGLIT-UHFFFAOYSA-N has a molecular weight of 500.52 g/mol, XLogP of 6.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CGXMXHJCUOGLIT-UHFFFAOYSA-N is sourced from PubChem (CID 11691822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 11691822 — identifiers, structure, computed properties (public domain)

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