1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C25H22F3NO4 — CID 11561592

IUPAC1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3NO4/c26-25(27,28)18-10-7-16(8-11-18)15-33-21-19-6-2-1-5-17(19)9-12-20(21)22(30)29-24(23(31)32)13-3-4-14-24/h1-2,5-12H,3-4,13-15H2,(H,29,30)(H,31,32)
InChIKeyKMEIJNHDCMCAJB-UHFFFAOYSA-N
MW457.45 g/mol
LogP5.56
Rot. Bonds6

About 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 11561592) has the molecular formula C25H22F3NO4 and a molecular weight of 457.45 g/mol. Its IUPAC name is 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID11561592
Molecular FormulaC25H22F3NO4
Molecular Weight457.45 g/mol
Exact Mass457.15
IUPAC Name1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3NO4/c26-25(27,28)18-10-7-16(8-11-18)15-33-21-19-6-2-1-5-17(19)9-12-20(21)22(30)29-24(23(31)32)13-3-4-14-24/h1-2,5-12H,3-4,13-15H2,(H,29,30)(H,31,32)
InChIKeyKMEIJNHDCMCAJB-UHFFFAOYSA-N
XLogP5.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

YAP/TAZ inhibitor-3
CID 155214091
3-[(2R)-2-borono-2-[(2-ethoxynaphthalene-1-carbonyl)amino]ethyl]benzoic acid
CID 71562533
4-[1-[[2-(Trifluoromethyl)-5,6-dihydrobenzo[b][1]benzoxepine-10-carbonyl]amino]cyclopropyl]benzoic acid
CID 57396195
4-[1-[[3-(Trifluoromethyl)-5,6-dihydrobenzo[b][1]benzoxepine-10-carbonyl]amino]cyclopropyl]benzoic acid
CID 57399661
2-Benzamido-3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]propanoic acid
CID 54768270
1-[[1-(4-Phenylbutan-2-yloxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 24768854
2-Methyl-2-[[1-(2-phenoxyethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]propanoic acid
CID 24970094
2-(2-Cyclobutoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
CID 25160282
2-(2-Isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
CID 25160407
5-Fluoro-2-(2-isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
CID 25160540
2-(2-Cyclobutoxy-3-methyl-benzoylamino)-5-fluoro-indan-2-carboxylic acid
CID 25160667
2-(2-Allyloxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
CID 59314284

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 11561592) is 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KMEIJNHDCMCAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO4/c26-25(27,28)18-10-7-16(8-11-18)15-33-21-19-6-2-1-5-17(19)9-12-20(21)22(30)29-24(23(31)32)13-3-4-14-24/h1-2,5-12H,3-4,13-15H2,(H,29,30)(H,31,32).
What are the key properties of 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 457.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 11561592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).