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

EX 527
CID 5113032
Jnj-7777120
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Fosdevirine
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SU 5614
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Gsk 2248761
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Org27569
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Idx899
CID 23583058
(6S)-2-Chloro-5,6,7,8,9,10-hexahydro-cyclohept[b]indole-6-carboxamide
CID 914268
1H-indole-2-carbohydrazide
CID 231954
2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 285865
6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 612977
3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844

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).