4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide

C27H27FN2O2 — CID 154688026

IUPAC4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)CCCc2cn(Cc3cccc(F)c3)c3ccccc23)c1
InChIInChI=1S/C27H27FN2O2/c1-32-24-11-5-7-20(16-24)17-29-27(31)14-6-9-22-19-30(26-13-3-2-12-25(22)26)18-21-8-4-10-23(28)15-21/h2-5,7-8,10-13,15-16,19H,6,9,14,17-18H2,1H3,(H,29,31)
InChIKeyQIDYLXRVEBAIEQ-UHFFFAOYSA-N
MW430.52 g/mol
LogP5.48
Rot. Bonds9

About 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide

4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 154688026) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID154688026
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)CCCc2cn(Cc3cccc(F)c3)c3ccccc23)c1
InChIInChI=1S/C27H27FN2O2/c1-32-24-11-5-7-20(16-24)17-29-27(31)14-6-9-22-19-30(26-13-3-2-12-25(22)26)18-21-8-4-10-23(28)15-21/h2-5,7-8,10-13,15-16,19H,6,9,14,17-18H2,1H3,(H,29,31)
InChIKeyQIDYLXRVEBAIEQ-UHFFFAOYSA-N
XLogP5.48
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]indol-3-yl]butanamide
CID 164781427
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 43825874
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
(2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 91073519
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
2-[(3-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-3-yl]hex-1-en-3-one
CID 154688165
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
chloro (2S)-2-amino-3-[1-[(3-methoxyphenyl)methyl]indol-3-yl]propanoate
CID 68812855

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide (CID 154688026) is 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide is COc1cccc(CNC(=O)CCCc2cn(Cc3cccc(F)c3)c3ccccc23)c1.
What is the InChIKey of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is QIDYLXRVEBAIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2/c1-32-24-11-5-7-20(16-24)17-29-27(31)14-6-9-22-19-30(26-13-3-2-12-25(22)26)18-21-8-4-10-23(28)15-21/h2-5,7-8,10-13,15-16,19H,6,9,14,17-18H2,1H3,(H,29,31).
What are the key properties of 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide?
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide has a molecular weight of 430.52 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 154688026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).