OPQHNDYFKSVBHR-SUMWQHHRSA-N

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

C₂₃H₂₄ClF₂NO₃ — CID 118120532

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

IUPAC4-[(3R,6S)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoic acid

SMILESC[C@H]1CC[C@@H](Oc2cc(F)c(C(=O)O)cc2C2CC2)CN1Cc1ccc(F)cc1Cl

InChIInChI=1S/C23H24ClF2NO3/c1-13-2-7-17(12-27(13)11-15-5-6-16(25)8-20(15)24)30-22-10-21(26)19(23(28)29)9-18(22)14-3-4-14/h5-6,8-10,13-14,17H,2-4,7,11-12H2,1H3,(H,28,29)/t13-,17+/m0/s1

InChIKeyOPQHNDYFKSVBHR-SUMWQHHRSA-N

MW435.90 g/mol

LogP5.63

Rot. Bonds6

About OPQHNDYFKSVBHR-SUMWQHHRSA-N

OPQHNDYFKSVBHR-SUMWQHHRSA-N (PubChem CID 118120532) has the molecular formula C₂₃H₂₄ClF₂NO₃ and a molecular weight of 435.90 g/mol. Its IUPAC name is 4-[(3R,6S)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoic acid.

Molecular Properties

Compound Name	OPQHNDYFKSVBHR-SUMWQHHRSA-N
PubChem CID	118120532
Molecular Formula	C₂₃H₂₄ClF₂NO₃
Molecular Weight	435.90 g/mol
Exact Mass	435.14
IUPAC Name	4-[(3R,6S)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoic acid
SMILES	C[C@H]1CC[C@@H](Oc2cc(F)c(C(=O)O)cc2C2CC2)CN1Cc1ccc(F)cc1Cl
InChI	InChI=1S/C23H24ClF2NO3/c1-13-2-7-17(12-27(13)11-15-5-6-16(25)8-20(15)24)30-22-10-21(26)19(23(28)29)9-18(22)14-3-4-14/h5-6,8-10,13-14,17H,2-4,7,11-12H2,1H3,(H,28,29)/t13-,17+/m0/s1
InChIKey	OPQHNDYFKSVBHR-SUMWQHHRSA-N
XLogP	5.63
TPSA	49.77 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.90
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of OPQHNDYFKSVBHR-SUMWQHHRSA-N?

The IUPAC name of OPQHNDYFKSVBHR-SUMWQHHRSA-N (CID 118120532) is 4-[(3R,6S)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoic acid.

What is the SMILES notation for OPQHNDYFKSVBHR-SUMWQHHRSA-N?

The canonical SMILES for OPQHNDYFKSVBHR-SUMWQHHRSA-N is C[C@H]1CC[C@@H](Oc2cc(F)c(C(=O)O)cc2C2CC2)CN1Cc1ccc(F)cc1Cl.

What is the InChIKey of OPQHNDYFKSVBHR-SUMWQHHRSA-N?

The InChIKey is OPQHNDYFKSVBHR-SUMWQHHRSA-N. The full InChI is InChI=1S/C23H24ClF2NO3/c1-13-2-7-17(12-27(13)11-15-5-6-16(25)8-20(15)24)30-22-10-21(26)19(23(28)29)9-18(22)14-3-4-14/h5-6,8-10,13-14,17H,2-4,7,11-12H2,1H3,(H,28,29)/t13-,17+/m0/s1.

What are the key properties of OPQHNDYFKSVBHR-SUMWQHHRSA-N?

OPQHNDYFKSVBHR-SUMWQHHRSA-N has a molecular weight of 435.90 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for OPQHNDYFKSVBHR-SUMWQHHRSA-N is sourced from PubChem (CID 118120532), 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 118120532 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.