N-chloro-N-methyl-1H-indole-6-carboxamide

C10H9ClN2O — CID 156761567

IUPACN-chloro-N-methyl-1H-indole-6-carboxamide
SMILESCN(Cl)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C10H9ClN2O/c1-13(11)10(14)8-3-2-7-4-5-12-9(7)6-8/h2-6,12H,1H3
InChIKeyNGXRGNYJBQTJTA-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.39
Rot. Bonds1

About N-chloro-N-methyl-1H-indole-6-carboxamide

N-chloro-N-methyl-1H-indole-6-carboxamide (PubChem CID 156761567) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is N-chloro-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-chloro-N-methyl-1H-indole-6-carboxamide
PubChem CID156761567
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC NameN-chloro-N-methyl-1H-indole-6-carboxamide
SMILESCN(Cl)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C10H9ClN2O/c1-13(11)10(14)8-3-2-7-4-5-12-9(7)6-8/h2-6,12H,1H3
InChIKeyNGXRGNYJBQTJTA-UHFFFAOYSA-N
XLogP2.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
ethane;1H-indole-6-carboxylic acid
CID 142472960
4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
CID 63749646
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1H-indole-6-carboxamide
CID 103190473
N-methyl-N-(3-methylsulfanylpropyl)-1H-indole-6-carboxamide
CID 114217639
chloro 1H-indole-6-carboxylate
CID 175606503
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
N-methyl-N-(2-phenylmethoxyethyl)-1H-indole-6-carboxamide
CID 166216963
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxamide
CID 64510794
N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-6-carboxamide
CID 55229836
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-methyl-1H-indole-6-carboxamide?
The IUPAC name of N-chloro-N-methyl-1H-indole-6-carboxamide (CID 156761567) is N-chloro-N-methyl-1H-indole-6-carboxamide.
What is the SMILES notation for N-chloro-N-methyl-1H-indole-6-carboxamide?
The canonical SMILES for N-chloro-N-methyl-1H-indole-6-carboxamide is CN(Cl)C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-chloro-N-methyl-1H-indole-6-carboxamide?
The InChIKey is NGXRGNYJBQTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-13(11)10(14)8-3-2-7-4-5-12-9(7)6-8/h2-6,12H,1H3.
What are the key properties of N-chloro-N-methyl-1H-indole-6-carboxamide?
N-chloro-N-methyl-1H-indole-6-carboxamide has a molecular weight of 208.65 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 156761567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).