N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide

C16H12BrFN2O — CID 113207178

IUPACN-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c(Br)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-14(12(17)6-9)20-16(21)15-8-10-7-11(18)3-5-13(10)19-15/h2-8,19H,1H3,(H,20,21)
InChIKeyKTYOZMFHNMNIPC-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.63
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide

N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide (PubChem CID 113207178) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
PubChem CID113207178
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC NameN-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c(Br)c1
InChIInChI=1S/C16H12BrFN2O/c1-9-2-4-14(12(17)6-9)20-16(21)15-8-10-7-11(18)3-5-13(10)19-15/h2-8,19H,1H3,(H,20,21)
InChIKeyKTYOZMFHNMNIPC-UHFFFAOYSA-N
XLogP4.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179
N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030513
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145
5-amino-N-(2,4-dibromophenyl)-1H-indole-2-carboxamide
CID 63118416
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide (CID 113207178) is N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is KTYOZMFHNMNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-2-4-14(12(17)6-9)20-16(21)15-8-10-7-11(18)3-5-13(10)19-15/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 347.19 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 113207178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).