6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide

C19H18F3N3O3 — CID 134357380

IUPAC6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Nc1ccc2c(C(=O)N(C)C)c[nH]c2c1
InChIInChI=1S/C19H18F3N3O3/c1-25(2)18(26)14-10-23-16-8-11(4-6-13(14)16)24-15-7-5-12(9-17(15)27-3)28-19(20,21)22/h4-10,23-24H,1-3H3
InChIKeyJCTWHVRIEUIRJQ-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.52
Rot. Bonds5

About 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide

6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide (PubChem CID 134357380) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide
PubChem CID134357380
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Nc1ccc2c(C(=O)N(C)C)c[nH]c2c1
InChIInChI=1S/C19H18F3N3O3/c1-25(2)18(26)14-10-23-16-8-11(4-6-13(14)16)24-15-7-5-12(9-17(15)27-3)28-19(20,21)22/h4-10,23-24H,1-3H3
InChIKeyJCTWHVRIEUIRJQ-UHFFFAOYSA-N
XLogP4.52
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide 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-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine
CID 134357306
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
methyl nitrite;N,N,6-trimethyl-1H-indole-3-carboxamide
CID 145476787
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
1-(2-hydroxyethyl)-3-[2-methoxy-4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 168560293
1-(2,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680314
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
methyl 1-(2-hydroxyethyl)-4-[2-methoxy-4-(trifluoromethoxy)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168565282
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide?
The IUPAC name of 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide (CID 134357380) is 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide is COc1cc(OC(F)(F)F)ccc1Nc1ccc2c(C(=O)N(C)C)c[nH]c2c1.
What is the InChIKey of 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide?
The InChIKey is JCTWHVRIEUIRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-25(2)18(26)14-10-23-16-8-11(4-6-13(14)16)24-15-7-5-12(9-17(15)27-3)28-19(20,21)22/h4-10,23-24H,1-3H3.
What are the key properties of 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide?
6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-(trifluoromethoxy)anilino]-N,N-dimethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 134357380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).