2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate

C21H17F4N3O3 — CID 25052001

IUPAC2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C21H17F4N3O3/c1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22/h3-8,11H,2,9-10H2,1H3,(H,27,29)
InChIKeySVSDEAZJQVAJIA-UHFFFAOYSA-N
MW435.38 g/mol
LogP5.62
Rot. Bonds6

About 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate

2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 25052001) has the molecular formula C21H17F4N3O3 and a molecular weight of 435.38 g/mol. Its IUPAC name is 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
PubChem CID25052001
Molecular FormulaC21H17F4N3O3
Molecular Weight435.38 g/mol
Exact Mass435.12
IUPAC Name2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C21H17F4N3O3/c1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22/h3-8,11H,2,9-10H2,1H3,(H,27,29)
InChIKeySVSDEAZJQVAJIA-UHFFFAOYSA-N
XLogP5.62
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6-methoxy-2-phenylindol-1-yl)ethyl]propanamide
CID 10448812
2-Amino-3-cyano-4-(3-methoxyphenyl)-7-methyl-4H-pyrrolo[2,3-h]chromene
CID 10019595
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 11625428
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide
CID 11682432
2-[[6-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]methylidene]propanedinitrile
CID 16101426
2-[[6-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile
CID 16101432
N-[4-[3-cyano-6-(difluoromethoxy)-1-isopropyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051493
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-1-sulfonamide
CID 25051674
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]cyclopropanesulfonamide
CID 25051675
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethyl-indol-2-yl]phenyl]propane-2-sulfonamide
CID 25051838
Ethanesulfonic acid [4-(3-cyano-1-ethyl-6-trifluoromethoxyindol-2-yl)phenyl]amide
CID 46946630
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide
CID 58693902

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate (CID 25052001) is 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate is CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is SVSDEAZJQVAJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O3/c1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22/h3-8,11H,2,9-10H2,1H3,(H,27,29).
What are the key properties of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 435.38 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 25052001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).