5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide

C13H13ClN2O — CID 74767740

IUPAC5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide
SMILESCC1(c2c(C(N)=O)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C13H13ClN2O/c1-13(4-5-13)10-8-6-7(14)2-3-9(8)16-11(10)12(15)17/h2-3,6,16H,4-5H2,1H3,(H2,15,17)
InChIKeyKYHZVZWZWMJBSI-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.97
Rot. Bonds2

About 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide

5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 74767740) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide
PubChem CID74767740
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide
SMILESCC1(c2c(C(N)=O)[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C13H13ClN2O/c1-13(4-5-13)10-8-6-7(14)2-3-9(8)16-11(10)12(15)17/h2-3,6,16H,4-5H2,1H3,(H2,15,17)
InChIKeyKYHZVZWZWMJBSI-UHFFFAOYSA-N
XLogP2.97
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
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-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-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230657
(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 72929058
5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10471920
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958929
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide (CID 74767740) is 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide is CC1(c2c(C(N)=O)[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
The InChIKey is KYHZVZWZWMJBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-13(4-5-13)10-8-6-7(14)2-3-9(8)16-11(10)12(15)17/h2-3,6,16H,4-5H2,1H3,(H2,15,17).
What are the key properties of 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide?
5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide has a molecular weight of 248.71 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 74767740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).