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2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid

C25H24Cl2N2O4 — CID 130418235

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid
SMILESCn1c(C(=O)NC2(c3ccc(C(C(=O)O)C4CC4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C25H24Cl2N2O4/c1-29-19-9-8-18(26)22(27)17(19)12-20(29)23(30)28-25(10-11-33-13-25)16-6-4-15(5-7-16)21(24(31)32)14-2-3-14/h4-9,12,14,21H,2-3,10-11,13H2,1H3,(H,28,30)(H,31,32)
InChIKeyCHIBQDFYPKTCGV-UHFFFAOYSA-N
MW487.38 g/mol
LogP5.11
Rot. Bonds6

About 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid

2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid (PubChem CID 130418235) has the molecular formula C25H24Cl2N2O4 and a molecular weight of 487.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid
PubChem CID130418235
Molecular FormulaC25H24Cl2N2O4
Molecular Weight487.38 g/mol
Exact Mass486.11
IUPAC Name2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid
SMILESCn1c(C(=O)NC2(c3ccc(C(C(=O)O)C4CC4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C25H24Cl2N2O4/c1-29-19-9-8-18(26)22(27)17(19)12-20(29)23(30)28-25(10-11-33-13-25)16-6-4-15(5-7-16)21(24(31)32)14-2-3-14/h4-9,12,14,21H,2-3,10-11,13H2,1H3,(H,28,30)(H,31,32)
InChIKeyCHIBQDFYPKTCGV-UHFFFAOYSA-N
XLogP5.11
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.38
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid (CID 130418235) is 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid is Cn1c(C(=O)NC2(c3ccc(C(C(=O)O)C4CC4)cc3)CCOC2)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid?
The InChIKey is CHIBQDFYPKTCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O4/c1-29-19-9-8-18(26)22(27)17(19)12-20(29)23(30)28-25(10-11-33-13-25)16-6-4-15(5-7-16)21(24(31)32)14-2-3-14/h4-9,12,14,21H,2-3,10-11,13H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid?
2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid has a molecular weight of 487.38 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-[3-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]oxolan-3-yl]phenyl]acetic acid is sourced from PubChem (CID 130418235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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