7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C16H11F3N2O — CID 174789761

IUPAC7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cccc(-c3ccc(C(F)(F)F)cc3)c2[nH]1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)11-6-4-9(5-7-11)12-3-1-2-10-8-13(15(20)22)21-14(10)12/h1-8,21H,(H2,20,22)
InChIKeySOXUMQJYMNAJNI-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.95
Rot. Bonds2

About 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 174789761) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID174789761
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cccc(-c3ccc(C(F)(F)F)cc3)c2[nH]1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)11-6-4-9(5-7-11)12-3-1-2-10-8-13(15(20)22)21-14(10)12/h1-8,21H,(H2,20,22)
InChIKeySOXUMQJYMNAJNI-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

ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide
CID 174789762
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287
2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
CID 22245167
7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid
CID 22135510
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
N-carbamimidoyl-N-methyl-7-phenyl-1H-indole-2-carboxamide;hydrochloride
CID 70218074
1-methyl-7-[4-(trifluoromethyl)phenyl]indole-2-carboxylic acid
CID 171663174
2-[[2-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetamide
CID 19105323
5-chloro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]benzamide
CID 23073720
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142

Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 174789761) is 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is NC(=O)c1cc2cccc(-c3ccc(C(F)(F)F)cc3)c2[nH]1.
What is the InChIKey of 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is SOXUMQJYMNAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)11-6-4-9(5-7-11)12-3-1-2-10-8-13(15(20)22)21-14(10)12/h1-8,21H,(H2,20,22).
What are the key properties of 7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
7-[4-(trifluoromethyl)phenyl]-1H-indole-2-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-2-carboxamide is sourced from PubChem (CID 174789761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).