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

C18H16Cl2N2O — CID 110501443

IUPACN-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c2ccccc21
InChIInChI=1S/C18H16Cl2N2O/c1-3-22-16-7-5-4-6-15(16)11(2)17(22)18(23)21-14-9-12(19)8-13(20)10-14/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyJMGPFHJNSXRENC-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.53
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110501443) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110501443
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC NameN-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c2ccccc21
InChIInChI=1S/C18H16Cl2N2O/c1-3-22-16-7-5-4-6-15(16)11(2)17(22)18(23)21-14-9-12(19)8-13(20)10-14/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyJMGPFHJNSXRENC-UHFFFAOYSA-N
XLogP5.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.53
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

5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
N-(2,6-dimethylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501475
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576
N-(2-chloro-4-nitrophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501483
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
N-benzyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497374
5-chloro-4-[(1-ethyl-3-methylindole-2-carbonyl)amino]-2-methoxybenzoic acid
CID 110501497
1-ethyl-3-methyl-N-(1H-1,2,4-triazol-5-yl)indole-2-carboxamide
CID 110501591
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
1-ethyl-3-methyl-N-(2,4,4-trimethylpentan-2-yl)indole-2-carboxamide
CID 110497414

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide (CID 110501443) is N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c2ccccc21.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is JMGPFHJNSXRENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-3-22-16-7-5-4-6-15(16)11(2)17(22)18(23)21-14-9-12(19)8-13(20)10-14/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide?
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 347.25 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).