N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide

C28H29FN2O3 — CID 20899943

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C28H29FN2O3/c1-33-24-12-13-27(34-2)21(17-24)15-16-30-28(32)14-9-22-19-31(26-6-4-3-5-25(22)26)18-20-7-10-23(29)11-8-20/h3-8,10-13,17,19H,9,14-16,18H2,1-2H3,(H,30,32)
InChIKeyRVUIBZXPBIYRND-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.14
Rot. Bonds10

About N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide (PubChem CID 20899943) has the molecular formula C28H29FN2O3 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
PubChem CID20899943
Molecular FormulaC28H29FN2O3
Molecular Weight460.55 g/mol
Exact Mass460.22
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
SMILESCOc1ccc(OC)c(CCNC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C28H29FN2O3/c1-33-24-12-13-27(34-2)21(17-24)15-16-30-28(32)14-9-22-19-31(26-6-4-3-5-25(22)26)18-20-7-10-23(29)11-8-20/h3-8,10-13,17,19H,9,14-16,18H2,1-2H3,(H,30,32)
InChIKeyRVUIBZXPBIYRND-UHFFFAOYSA-N
XLogP5.14
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899940
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46295867

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide (CID 20899943) is N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide is COc1ccc(OC)c(CCNC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
The InChIKey is RVUIBZXPBIYRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O3/c1-33-24-12-13-27(34-2)21(17-24)15-16-30-28(32)14-9-22-19-31(26-6-4-3-5-25(22)26)18-20-7-10-23(29)11-8-20/h3-8,10-13,17,19H,9,14-16,18H2,1-2H3,(H,30,32).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide has a molecular weight of 460.55 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 20899943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).