N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide

C19H19ClN2O2 — CID 30503002

IUPACN-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2c1C
InChIInChI=1S/C19H19ClN2O2/c1-12-13(2)22-18-8-3-14(11-17(12)18)19(23)21-9-10-24-16-6-4-15(20)5-7-16/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyCHCSKFWNGATIOT-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.25
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 30503002) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID30503002
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2c1C
InChIInChI=1S/C19H19ClN2O2/c1-12-13(2)22-18-8-3-14(11-17(12)18)19(23)21-9-10-24-16-6-4-15(20)5-7-16/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyCHCSKFWNGATIOT-UHFFFAOYSA-N
XLogP4.25
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 111461060
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 30503002) is N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2c1C.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is CHCSKFWNGATIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-13(2)22-18-8-3-14(11-17(12)18)19(23)21-9-10-24-16-6-4-15(20)5-7-16/h3-8,11,22H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 30503002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).