5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide

C18H12F4N2O2 — CID 123781874

IUPAC5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
SMILESC=NC(=O)c1[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc2c1C
InChIInChI=1S/C18H12F4N2O2/c1-9-13-7-11(19)8-14(16(13)24-15(9)17(25)23-2)10-3-5-12(6-4-10)26-18(20,21)22/h3-8,24H,2H2,1H3
InChIKeyHNIFEKYMJOSYDE-UHFFFAOYSA-N
MW364.30 g/mol
LogP5.02
Rot. Bonds3

About 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide

5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (PubChem CID 123781874) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
PubChem CID123781874
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide
SMILESC=NC(=O)c1[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc2c1C
InChIInChI=1S/C18H12F4N2O2/c1-9-13-7-11(19)8-14(16(13)24-15(9)17(25)23-2)10-3-5-12(6-4-10)26-18(20,21)22/h3-8,24H,2H2,1H3
InChIKeyHNIFEKYMJOSYDE-UHFFFAOYSA-N
XLogP5.02
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.30
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 4355644
1H-Indole-2-carboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071647
N-(3-fluoro-4-methylphenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742889
5-methyl-N-(4-propoxyphenyl)-1H-indole-2-carboxamide
CID 5160710
N-Benzyl-5-methoxy-3-methyl-1H-indole-2-carboxamide hydrochloride
CID 24747857
N-[2-(4-fluoro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methoxybenzamide
CID 668650
(2-Fluoro-phenyl)-(5-methoxy-1H-indol-2-yl)-methanone
CID 9835144
2-[3-(Trifluoromethyl)benzoyl]-5-methoxy-1H-indole
CID 9880048
5-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 10801701
(3-Fluoro-phenyl)-(5-methoxy-1H-indol-2-yl)-methanone
CID 10869302
2-[3-(Trifluoromethoxy)benzoyl]-5-methoxy-1H-indole
CID 11056762

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide (CID 123781874) is 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide is C=NC(=O)c1[nH]c2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc2c1C.
What is the InChIKey of 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
The InChIKey is HNIFEKYMJOSYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c1-9-13-7-11(19)8-14(16(13)24-15(9)17(25)23-2)10-3-5-12(6-4-10)26-18(20,21)22/h3-8,24H,2H2,1H3.
What are the key properties of 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide?
5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide has a molecular weight of 364.30 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 123781874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).