5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide

C19H19ClN2O2 — CID 118728584

IUPAC5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2cccc(O)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O2/c1-2-15-16-11-13(20)6-7-17(16)22-18(15)19(24)21-9-8-12-4-3-5-14(23)10-12/h3-7,10-11,22-23H,2,8-9H2,1H3,(H,21,24)
InChIKeyUFLLNLMDBQIUTH-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.06
Rot. Bonds5

About 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide

5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 118728584) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID118728584
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2cccc(O)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O2/c1-2-15-16-11-13(20)6-7-17(16)22-18(15)19(24)21-9-8-12-4-3-5-14(23)10-12/h3-7,10-11,22-23H,2,8-9H2,1H3,(H,21,24)
InChIKeyUFLLNLMDBQIUTH-UHFFFAOYSA-N
XLogP4.06
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.06
H-Bond Donors ≤ 53
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-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
CID 118728586
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
CID 118727855
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
CID 169175710
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
CID 91827723
N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide;(E)-but-2-enedioic acid
CID 167995934
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
CID 142664195

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 118728584) is 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide is CCc1c(C(=O)NCCc2cccc(O)c2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is UFLLNLMDBQIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-15-16-11-13(20)6-7-17(16)22-18(15)19(24)21-9-8-12-4-3-5-14(23)10-12/h3-7,10-11,22-23H,2,8-9H2,1H3,(H,21,24).
What are the key properties of 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide?
5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118728584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).