N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide

C15H10BrFN2O — CID 115672322

IUPACN-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C15H10BrFN2O/c16-12-8-9(4-5-13(12)17)19-15(20)11-2-1-3-14-10(11)6-7-18-14/h1-8,18H,(H,19,20)
InChIKeyUBMVZBIKYFBMSX-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.32
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide

N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide (PubChem CID 115672322) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
PubChem CID115672322
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC NameN-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cccc2[nH]ccc12
InChIInChI=1S/C15H10BrFN2O/c16-12-8-9(4-5-13(12)17)19-15(20)11-2-1-3-14-10(11)6-7-18-14/h1-8,18H,(H,19,20)
InChIKeyUBMVZBIKYFBMSX-UHFFFAOYSA-N
XLogP4.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
CID 107575074
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
CID 113452479
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-4-carboxamide
CID 112525958
N-(4-bromo-2,6-dimethylphenyl)-1H-indole-4-carboxamide
CID 43582014
N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
CID 79478764
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
N-(4-bromo-2-chlorophenyl)-1H-indole-4-carboxamide
CID 43582829

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide (CID 115672322) is N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide is O=C(Nc1ccc(F)c(Br)c1)c1cccc2[nH]ccc12.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide?
The InChIKey is UBMVZBIKYFBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-12-8-9(4-5-13(12)17)19-15(20)11-2-1-3-14-10(11)6-7-18-14/h1-8,18H,(H,19,20).
What are the key properties of N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide?
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide has a molecular weight of 333.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 115672322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).