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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-1-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]naphthalene-2-carboxamide
CID 54755840
5-[[2-(4-Chloro-2-methylphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845609
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-prop-2-enoxynaphthalene-2-carboxamide
CID 76314631
[4-[(6-chloro-3-pyridinyl)methyl]-2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]naphthalen-1-yl] acetate
CID 76332743
US11116760, Example 222
CID 146614426
2-[[1-[[3-Methoxy-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11533291
2-Methyl-2-[[1-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 11568201
1-[[1-[[6-(Trifluoromethyl)pyridin-3-yl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 11612274
2-Methyl-2-({1-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-ylmethoxy]-naphthalene-2-carbonyl}-amino)-propionic acid
CID 11648317
N-[1-(6-chloropyridin-3-yl)-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]-4-fluoronaphthalene-1-carboxamide
CID 22261516
2-[[4-Chloro-1-[[5-(trifluoromethyl)pyridin-2-yl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132807
2-Methyl-2-({1-[6-(2,2,2-trifluoro-ethoxy)-pyridin-3-ylmethoxy]-naphtha-lene-2-carbonyl}-amino)-butyric acid
CID 23132816

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).