N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide

C16H10ClF3N2O — CID 162406399

IUPACN-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1-c1cc2cc(Cl)ccc2[nH]1)C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O/c17-10-5-6-12-9(7-10)8-14(21-12)11-3-1-2-4-13(11)22-15(23)16(18,19)20/h1-8,21H,(H,22,23)
InChIKeyDSABNGJTZRYQQS-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.99
Rot. Bonds2

About N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide

N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 162406399) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID162406399
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC NameN-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1-c1cc2cc(Cl)ccc2[nH]1)C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O/c17-10-5-6-12-9(7-10)8-14(21-12)11-3-1-2-4-13(11)22-15(23)16(18,19)20/h1-8,21H,(H,22,23)
InChIKeyDSABNGJTZRYQQS-UHFFFAOYSA-N
XLogP4.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

EX 527
CID 5113032
(6S)-2-Chloro-5,6,7,8,9,10-hexahydro-cyclohept[b]indole-6-carboxamide
CID 914268
2-(4-Chlorophenyl)-1H-indole
CID 220463
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
2-Chloro-5,6,7,8,9,10-hexahydrocyclohepta(b)indole-6-carboxamide
CID 3612016
5-Chloro-2-methylindole
CID 70636
3-Chlorocarbazole
CID 520302
9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383785
5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
5-chloro-2-phenyl-1H-indole
CID 1481465
6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 17743497

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide (CID 162406399) is N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccccc1-c1cc2cc(Cl)ccc2[nH]1)C(F)(F)F.
What is the InChIKey of N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is DSABNGJTZRYQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-10-5-6-12-9(7-10)8-14(21-12)11-3-1-2-4-13(11)22-15(23)16(18,19)20/h1-8,21H,(H,22,23).
What are the key properties of N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 338.72 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-2-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162406399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).