propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate

C24H24FN3O3 — CID 58039115

IUPACpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCF)cc3n2CC2CC2)cc1
InChIInChI=1S/C24H24FN3O3/c1-2-11-30-24(29)27-18-7-5-17(6-8-18)23-21(13-26)20-10-9-19(31-15-25)12-22(20)28(23)14-16-3-4-16/h5-10,12,16H,2-4,11,14-15H2,1H3,(H,27,29)
InChIKeyCJHCOAAGMTWYES-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.85
Rot. Bonds8

About propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate

propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 58039115) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
PubChem CID58039115
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Namepropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCF)cc3n2CC2CC2)cc1
InChIInChI=1S/C24H24FN3O3/c1-2-11-30-24(29)27-18-7-5-17(6-8-18)23-21(13-26)20-10-9-19(31-15-25)12-22(20)28(23)14-16-3-4-16/h5-10,12,16H,2-4,11,14-15H2,1H3,(H,27,29)
InChIKeyCJHCOAAGMTWYES-UHFFFAOYSA-N
XLogP5.85
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
propyl N-[3-[6-[amino(difluoro)methoxy]-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 143184657
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
benzyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-methylperoxyindol-2-yl]phenyl]carbamate
CID 88979329
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamic acid
CID 141210495
ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 143184497
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 161097153
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyridin-2-ylindol-2-yl]phenyl]carbamate
CID 59430504

Frequently Asked Questions

What is the IUPAC name of propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate (CID 58039115) is propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate is CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCF)cc3n2CC2CC2)cc1.
What is the InChIKey of propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is CJHCOAAGMTWYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-2-11-30-24(29)27-18-7-5-17(6-8-18)23-21(13-26)20-10-9-19(31-15-25)12-22(20)28(23)14-16-3-4-16/h5-10,12,16H,2-4,11,14-15H2,1H3,(H,27,29).
What are the key properties of propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate?
propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 421.47 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 58039115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).