3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

C26H25ClN2O2 — CID 20899811

IUPAC3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H25ClN2O2/c1-31-25-9-5-2-6-20(25)16-28-26(30)15-12-21-18-29(24-8-4-3-7-23(21)24)17-19-10-13-22(27)14-11-19/h2-11,13-14,18H,12,15-17H2,1H3,(H,28,30)
InChIKeyHAQGWHLSHZNPGI-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.60
Rot. Bonds8

About 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide

3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 20899811) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID20899811
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C26H25ClN2O2/c1-31-25-9-5-2-6-20(25)16-28-26(30)15-12-21-18-29(24-8-4-3-7-23(21)24)17-19-10-13-22(27)14-11-19/h2-11,13-14,18H,12,15-17H2,1H3,(H,28,30)
InChIKeyHAQGWHLSHZNPGI-UHFFFAOYSA-N
XLogP5.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899802
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-methylpropanamide
CID 155965116

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide (CID 20899811) is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is HAQGWHLSHZNPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c1-31-25-9-5-2-6-20(25)16-28-26(30)15-12-21-18-29(24-8-4-3-7-23(21)24)17-19-10-13-22(27)14-11-19/h2-11,13-14,18H,12,15-17H2,1H3,(H,28,30).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 432.95 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 20899811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).