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

C27H22F3N3O2 — CID 25051359

IUPACN-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide
SMILESCCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C27H22F3N3O2/c1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18/h3-7,9-14,16H,2,8,15H2,1H3,(H,32,34)
InChIKeyGZOKQLGMBAYDCR-UHFFFAOYSA-N
MW477.49 g/mol
LogP6.67
Rot. Bonds7

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

N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide (PubChem CID 25051359) has the molecular formula C27H22F3N3O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide
PubChem CID25051359
Molecular FormulaC27H22F3N3O2
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC NameN-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide
SMILESCCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C27H22F3N3O2/c1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18/h3-7,9-14,16H,2,8,15H2,1H3,(H,32,34)
InChIKeyGZOKQLGMBAYDCR-UHFFFAOYSA-N
XLogP6.67
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-ethyl-2-[4-(hydroperoxymethylamino)phenyl]-6-(trifluoromethoxy)indole-3-carbonitrile
CID 143511546
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
CID 58694488
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
6-(difluoromethoxy)-1-ethyl-2-[4-(propylsulfanylamino)phenyl]indole-3-carbonitrile
CID 143511226
N-[4-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)phenyl]cyclopropanecarboxamide
CID 59425200
benzyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-methylperoxyindol-2-yl]phenyl]carbamate
CID 88979329

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide (CID 25051359) is N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide is CCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide?
The InChIKey is GZOKQLGMBAYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O2/c1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18/h3-7,9-14,16H,2,8,15H2,1H3,(H,32,34).
What are the key properties of N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide?
N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide has a molecular weight of 477.49 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 25051359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).