N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide

C20H21ClN2O — CID 20940057

IUPACN-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C20H21ClN2O/c1-4-23-14(3)13(2)18-11-16(8-9-19(18)23)20(24)22-12-15-6-5-7-17(21)10-15/h5-11H,4,12H2,1-3H3,(H,22,24)
InChIKeyUNNRTAGUSSTLMW-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.86
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide

N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide (PubChem CID 20940057) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
PubChem CID20940057
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C20H21ClN2O/c1-4-23-14(3)13(2)18-11-16(8-9-19(18)23)20(24)22-12-15-6-5-7-17(21)10-15/h5-11H,4,12H2,1-3H3,(H,22,24)
InChIKeyUNNRTAGUSSTLMW-UHFFFAOYSA-N
XLogP4.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide
CID 121363768
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
CID 20940113
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;ethane
CID 144948514
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085
N-(5-chloro-2-pyridinyl)-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 35333872
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide (CID 20940057) is N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NCc3cccc(Cl)c3)ccc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
The InChIKey is UNNRTAGUSSTLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-4-23-14(3)13(2)18-11-16(8-9-19(18)23)20(24)22-12-15-6-5-7-17(21)10-15/h5-11H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 20940057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).