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

C16H12BrFN2O — CID 113207179

IUPACN-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H12BrFN2O/c1-9-6-11(17)2-4-13(9)20-16(21)15-8-10-7-12(18)3-5-14(10)19-15/h2-8,19H,1H3,(H,20,21)
InChIKeyQTMHCEZHXYXBOK-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.63
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide (PubChem CID 113207179) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
PubChem CID113207179
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC NameN-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H12BrFN2O/c1-9-6-11(17)2-4-13(9)20-16(21)15-8-10-7-12(18)3-5-14(10)19-15/h2-8,19H,1H3,(H,20,21)
InChIKeyQTMHCEZHXYXBOK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
5-amino-N-(2,4-dibromophenyl)-1H-indole-2-carboxamide
CID 63118416
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
CID 63117458
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
N-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide (CID 113207179) is N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is QTMHCEZHXYXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-9-6-11(17)2-4-13(9)20-16(21)15-8-10-7-12(18)3-5-14(10)19-15/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide?
N-(4-bromo-2-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-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 113207179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).