5-chloro-3-methyl-1H-indole-2-carboxamide

C10H9ClN2O — CID 14567452

IUPAC5-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H9ClN2O/c1-5-7-4-6(11)2-3-8(7)13-9(5)10(12)14/h2-4,13H,1H3,(H2,12,14)
InChIKeyQHOVLVAPQNRQHW-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.23
Rot. Bonds1

About 5-chloro-3-methyl-1H-indole-2-carboxamide

5-chloro-3-methyl-1H-indole-2-carboxamide (PubChem CID 14567452) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-1H-indole-2-carboxamide
PubChem CID14567452
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-chloro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H9ClN2O/c1-5-7-4-6(11)2-3-8(7)13-9(5)10(12)14/h2-4,13H,1H3,(H2,12,14)
InChIKeyQHOVLVAPQNRQHW-UHFFFAOYSA-N
XLogP2.23
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide
CID 74767740
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide
CID 88896255
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506872
(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 72929058
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide
CID 142861143
3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
CID 10068626
5-chloro-3-fluoro-1H-indole-2-carboxylic acid
CID 22934792
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-1H-indole-2-carboxamide (CID 14567452) is 5-chloro-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-1H-indole-2-carboxamide is Cc1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is QHOVLVAPQNRQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-5-7-4-6(11)2-3-8(7)13-9(5)10(12)14/h2-4,13H,1H3,(H2,12,14).
What are the key properties of 5-chloro-3-methyl-1H-indole-2-carboxamide?
5-chloro-3-methyl-1H-indole-2-carboxamide has a molecular weight of 208.65 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 14567452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).