N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide

C23H23F2N3O2 — CID 143184251

IUPACN-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1
InChIInChI=1S/C23H23F2N3O2/c1-5-27(15(4)29)17-8-6-16(7-9-17)22-20(13-26)19-11-10-18(30-23(24)25)12-21(19)28(22)14(2)3/h6-12,14,23H,5H2,1-4H3
InChIKeyGHTWOSLVQMRSFE-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.74
Rot. Bonds6

About N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide

N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide (PubChem CID 143184251) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide
PubChem CID143184251
Molecular FormulaC23H23F2N3O2
Molecular Weight411.45 g/mol
Exact Mass411.18
IUPAC NameN-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1
InChIInChI=1S/C23H23F2N3O2/c1-5-27(15(4)29)17-8-6-16(7-9-17)22-20(13-26)19-11-10-18(30-23(24)25)12-21(19)28(22)14(2)3/h6-12,14,23H,5H2,1-4H3
InChIKeyGHTWOSLVQMRSFE-UHFFFAOYSA-N
XLogP5.74
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-6-(difluoromethoxy)-1-propan-2-ylindole-3-carbonitrile
CID 89344169
2-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide
CID 66730616
N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide
CID 58694164
6-(difluoromethoxy)-1-ethyl-2-(4-pyrrolidin-1-ylphenyl)indole-3-carbonitrile
CID 143184641
N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
CID 58694414
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522
N-[4-[3-cyano-1-methyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-N-methylethanesulfonamide
CID 58724749
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
6-(difluoromethoxy)-1-ethyl-2-[4-(propylsulfanylamino)phenyl]indole-3-carbonitrile
CID 143511226
6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
CID 143509596
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 59430592

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide?
The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide (CID 143184251) is N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide?
The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide is CCN(C(C)=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1.
What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide?
The InChIKey is GHTWOSLVQMRSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c1-5-27(15(4)29)17-8-6-16(7-9-17)22-20(13-26)19-11-10-18(30-23(24)25)12-21(19)28(22)14(2)3/h6-12,14,23H,5H2,1-4H3.
What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide?
N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide has a molecular weight of 411.45 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide is sourced from PubChem (CID 143184251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).