N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide

C19H19ClN2O — CID 113204705

IUPACN-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(Cl)cc2c1C
InChIInChI=1S/C19H19ClN2O/c1-3-22(12-14-7-5-4-6-8-14)19(23)18-13(2)16-11-15(20)9-10-17(16)21-18/h4-11,21H,3,12H2,1-2H3
InChIKeyITNNARMLEDAOID-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.79
Rot. Bonds4

About N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide

N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204705) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
PubChem CID113204705
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(Cl)cc2c1C
InChIInChI=1S/C19H19ClN2O/c1-3-22(12-14-7-5-4-6-8-14)19(23)18-13(2)16-11-15(20)9-10-17(16)21-18/h4-11,21H,3,12H2,1-2H3
InChIKeyITNNARMLEDAOID-UHFFFAOYSA-N
XLogP4.79
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 4971091
3-[(3,5-dichloro-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191758
6-chloro-N-ethyl-3-methyl-N-phenyl-1H-indole-2-carboxamide
CID 113205333
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
CID 25107915
N-benzyl-5-chloro-N-ethyl-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845793
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 162409385
ethyl 5-(dibenzylamino)-3-methyl-1H-indole-2-carboxylate
CID 102170436
4-amino-N-benzyl-3,5-dichloro-N-ethylbenzamide
CID 82812598
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide (CID 113204705) is N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(Cl)cc2c1C.
What is the InChIKey of N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide?
The InChIKey is ITNNARMLEDAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-3-22(12-14-7-5-4-6-8-14)19(23)18-13(2)16-11-15(20)9-10-17(16)21-18/h4-11,21H,3,12H2,1-2H3.
What are the key properties of N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide?
N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).