N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide

C17H15FN2O — CID 46555971

IUPACN-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c(C)c1
InChIInChI=1S/C17H15FN2O/c1-10-3-5-14(11(2)7-10)20-17(21)16-9-12-8-13(18)4-6-15(12)19-16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyXGCIMFRBFZOXJS-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.18
Rot. Bonds2

About N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide

N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide (PubChem CID 46555971) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
PubChem CID46555971
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c(C)c1
InChIInChI=1S/C17H15FN2O/c1-10-3-5-14(11(2)7-10)20-17(21)16-9-12-8-13(18)4-6-15(12)19-16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyXGCIMFRBFZOXJS-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(2,4-dimethylphenyl)-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-bromo-4-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207178
N-(4-bromo-2-methylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207179
N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 46550602
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
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-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390704
N-(2,4-dimethoxyphenyl)-5-methyl-1H-indole-2-carboxamide
CID 4587719
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide (CID 46555971) is N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is XGCIMFRBFZOXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-3-5-14(11(2)7-10)20-17(21)16-9-12-8-13(18)4-6-15(12)19-16/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide?
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 46555971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).