5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide

C18H15Cl3N2O — CID 110502070

IUPAC5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C18H15Cl3N2O/c1-3-23-16-5-4-11(19)9-15(16)10(2)17(23)18(24)22-14-7-12(20)6-13(21)8-14/h4-9H,3H2,1-2H3,(H,22,24)
InChIKeyDUWDUPPUVWYYJE-UHFFFAOYSA-N
MW381.69 g/mol
LogP6.18
Rot. Bonds3

About 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide

5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110502070) has the molecular formula C18H15Cl3N2O and a molecular weight of 381.69 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110502070
Molecular FormulaC18H15Cl3N2O
Molecular Weight381.69 g/mol
Exact Mass380.02
IUPAC Name5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C18H15Cl3N2O/c1-3-23-16-5-4-11(19)9-15(16)10(2)17(23)18(24)22-14-7-12(20)6-13(21)8-14/h4-9H,3H2,1-2H3,(H,22,24)
InChIKeyDUWDUPPUVWYYJE-UHFFFAOYSA-N
XLogP6.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 56.18
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-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110502078
5-chloro-1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110502197
5-chloro-1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110502203
5-chloro-N-(2-chloro-3-pyridinyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502209
5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
2-[(5-chloro-1-ethyl-3-methylindole-2-carbonyl)amino]pentanoic acid
CID 110497722

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide (CID 110502070) is 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is DUWDUPPUVWYYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O/c1-3-23-16-5-4-11(19)9-15(16)10(2)17(23)18(24)22-14-7-12(20)6-13(21)8-14/h4-9H,3H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 381.69 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110502070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).