1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C24H20ClF3N2O4 — CID 11547729

IUPAC1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H20ClF3N2O4/c25-18-11-17(21(31)30-23(22(32)33)9-3-4-10-23)20(16-6-2-1-5-15(16)18)34-13-14-7-8-19(29-12-14)24(26,27)28/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,30,31)(H,32,33)
InChIKeyFHUWFZCKMMPREZ-UHFFFAOYSA-N
MW492.88 g/mol
LogP5.61
Rot. Bonds6

About 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 11547729) has the molecular formula C24H20ClF3N2O4 and a molecular weight of 492.88 g/mol. Its IUPAC name is 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID11547729
Molecular FormulaC24H20ClF3N2O4
Molecular Weight492.88 g/mol
Exact Mass492.11
IUPAC Name1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H20ClF3N2O4/c25-18-11-17(21(31)30-23(22(32)33)9-3-4-10-23)20(16-6-2-1-5-15(16)18)34-13-14-7-8-19(29-12-14)24(26,27)28/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,30,31)(H,32,33)
InChIKeyFHUWFZCKMMPREZ-UHFFFAOYSA-N
XLogP5.61
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.88
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 11547729) is 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FHUWFZCKMMPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O4/c25-18-11-17(21(31)30-23(22(32)33)9-3-4-10-23)20(16-6-2-1-5-15(16)18)34-13-14-7-8-19(29-12-14)24(26,27)28/h1-2,5-8,11-12H,3-4,9-10,13H2,(H,30,31)(H,32,33).
What are the key properties of 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 492.88 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 11547729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).