1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide

C25H23ClN2O2 — CID 166984969

IUPAC1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C25H23ClN2O2/c1-30-21-6-4-5-18(15-21)13-14-27-25(29)23-17-28(24-8-3-2-7-22(23)24)16-19-9-11-20(26)12-10-19/h2-12,15,17H,13-14,16H2,1H3,(H,27,29)
InChIKeyOSYFWXALMYYBPD-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.32
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide (PubChem CID 166984969) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
PubChem CID166984969
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C25H23ClN2O2/c1-30-21-6-4-5-18(15-21)13-14-27-25(29)23-17-28(24-8-3-2-7-22(23)24)16-19-9-11-20(26)12-10-19/h2-12,15,17H,13-14,16H2,1H3,(H,27,29)
InChIKeyOSYFWXALMYYBPD-UHFFFAOYSA-N
XLogP5.32
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]indole-3-carboxamide
CID 166984640
N-[2-(4-chloro-3-fluorophenyl)ethyl]-1-[(4-methylphenyl)methyl]indole-3-carboxamide
CID 166984638
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide (CID 166984969) is 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide is COc1cccc(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide?
The InChIKey is OSYFWXALMYYBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-30-21-6-4-5-18(15-21)13-14-27-25(29)23-17-28(24-8-3-2-7-22(23)24)16-19-9-11-20(26)12-10-19/h2-12,15,17H,13-14,16H2,1H3,(H,27,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide has a molecular weight of 418.92 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 166984969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).