1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide

C21H21ClN2O2 — CID 10270421

IUPAC1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide
SMILESCCC(=O)c1c(CC)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-3-15-16-10-9-13(21(23)26)11-18(16)24(20(15)19(25)4-2)12-14-7-5-6-8-17(14)22/h5-11H,3-4,12H2,1-2H3,(H2,23,26)
InChIKeyGHNXEXPUXOJJEL-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.60
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide

1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide (PubChem CID 10270421) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide
PubChem CID10270421
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide
SMILESCCC(=O)c1c(CC)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O2/c1-3-15-16-10-9-13(21(23)26)11-18(16)24(20(15)19(25)4-2)12-14-7-5-6-8-17(14)22/h5-11H,3-4,12H2,1-2H3,(H2,23,26)
InChIKeyGHNXEXPUXOJJEL-UHFFFAOYSA-N
XLogP4.60
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide (CID 10270421) is 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide is CCC(=O)c1c(CC)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide?
The InChIKey is GHNXEXPUXOJJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-3-15-16-10-9-13(21(23)26)11-18(16)24(20(15)19(25)4-2)12-14-7-5-6-8-17(14)22/h5-11H,3-4,12H2,1-2H3,(H2,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide?
1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-ethyl-2-propanoylindole-6-carboxamide is sourced from PubChem (CID 10270421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).