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

C17H15ClN2O — CID 113207220

IUPAC5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C17H15ClN2O/c1-10-3-4-11(2)15(7-10)20-17(21)16-9-12-8-13(18)5-6-14(12)19-16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyADBPRHYGEGXNJF-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.69
Rot. Bonds2

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

5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide (PubChem CID 113207220) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
PubChem CID113207220
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C17H15ClN2O/c1-10-3-4-11(2)15(7-10)20-17(21)16-9-12-8-13(18)5-6-14(12)19-16/h3-9,19H,1-2H3,(H,20,21)
InChIKeyADBPRHYGEGXNJF-UHFFFAOYSA-N
XLogP4.69
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-1H-indole-2-carboxamide
CID 169229641
N-(2-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 26699456
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207244
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 46550602
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
CID 46323222

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide (CID 113207220) is 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide?
The InChIKey is ADBPRHYGEGXNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-3-4-11(2)15(7-10)20-17(21)16-9-12-8-13(18)5-6-14(12)19-16/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide?
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113207220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).