6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide

C19H19ClN2O3 — CID 113207545

IUPAC6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1OC
InChIInChI=1S/C19H19ClN2O3/c1-24-17-6-3-12(9-18(17)25-2)7-8-21-19(23)16-10-13-4-5-14(20)11-15(13)22-16/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyLHDWLFIEMFDPOH-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.81
Rot. Bonds6

About 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide

6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 113207545) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID113207545
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1OC
InChIInChI=1S/C19H19ClN2O3/c1-24-17-6-3-12(9-18(17)25-2)7-8-21-19(23)16-10-13-4-5-14(20)11-15(13)22-16/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyLHDWLFIEMFDPOH-UHFFFAOYSA-N
XLogP3.81
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 113207545) is 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide is COc1ccc(CCNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1OC.
What is the InChIKey of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LHDWLFIEMFDPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-24-17-6-3-12(9-18(17)25-2)7-8-21-19(23)16-10-13-4-5-14(20)11-15(13)22-16/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113207545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).