7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide

C16H11F3N2O — CID 174789762

IUPAC7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)c2[nH]ccc2c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-3-1-9(2-4-12)13-8-11(15(20)22)7-10-5-6-21-14(10)13/h1-8,21H,(H2,20,22)
InChIKeyUIMUCJPJUBCLPO-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.95
Rot. Bonds2

About 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide

7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide (PubChem CID 174789762) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide
PubChem CID174789762
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)c2[nH]ccc2c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)12-3-1-9(2-4-12)13-8-11(15(20)22)7-10-5-6-21-14(10)13/h1-8,21H,(H2,20,22)
InChIKeyUIMUCJPJUBCLPO-UHFFFAOYSA-N
XLogP3.95
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 174789761
5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide
CID 91093698
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
7-fluoro-1H-indole-5-carboxylic acid
CID 11564558
5-chloro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]benzamide
CID 23073720
2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 90835999
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564

Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide?
The IUPAC name of 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide (CID 174789762) is 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide?
The canonical SMILES for 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide is NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)c2[nH]ccc2c1.
What is the InChIKey of 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide?
The InChIKey is UIMUCJPJUBCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)12-3-1-9(2-4-12)13-8-11(15(20)22)7-10-5-6-21-14(10)13/h1-8,21H,(H2,20,22).
What are the key properties of 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide?
7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 174789762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).