methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate

C26H29F2N3O3 — CID 143185522

About methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate

methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate (PubChem CID 143185522) has the molecular formula C26H29F2N3O3 and a molecular weight of 469.53 g/mol. Its IUPAC name is methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
• PubChem CID: 143185522
• Molecular Formula: C26H29F2N3O3
• Molecular Weight: 469.53 g/mol
• Exact Mass: 469.22
• IUPAC Name: methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
• SMILES: CC1CC1.CCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21
• InChI: InChI=1S/C22H21F2N3O3.C4H8/c1-4-27-19-11-16(30-21(23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-22(28)29-13(2)3;1-4-2-3-4/h5-11,13,21H,4H2,1-3H3,(H,26,28);4H,2-3H2,1H3
• InChIKey: AMOVDSYWRPXCDP-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 76.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.53
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate?

The IUPAC name of methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate (CID 143185522) is methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate.

What is the SMILES notation for methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate?

The canonical SMILES for methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate is CC1CC1.CCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21.

What is the InChIKey of methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate?

The InChIKey is AMOVDSYWRPXCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3.C4H8/c1-4-27-19-11-16(30-21(23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-22(28)29-13(2)3;1-4-2-3-4/h5-11,13,21H,4H2,1-3H3,(H,26,28);4H,2-3H2,1H3.

What are the key properties of methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate?

methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate has a molecular weight of 469.53 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 143185522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).