4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide

C22H25FN2O2 — CID 22522977

IUPAC4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H25FN2O2/c1-27-14-13-24-22(26)8-4-5-18-16-25(21-7-3-2-6-20(18)21)15-17-9-11-19(23)12-10-17/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3,(H,24,26)
InChIKeyBKQWIMIDDURUPS-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.91
Rot. Bonds9

About 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide

4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide (PubChem CID 22522977) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
PubChem CID22522977
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C22H25FN2O2/c1-27-14-13-24-22(26)8-4-5-18-16-25(21-7-3-2-6-20(18)21)15-17-9-11-19(23)12-10-17/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3,(H,24,26)
InChIKeyBKQWIMIDDURUPS-UHFFFAOYSA-N
XLogP3.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
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
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899940
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 41109005
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
3-(6-chloro-3-pyridinyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 83284079
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide (CID 22522977) is 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide?
The InChIKey is BKQWIMIDDURUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-27-14-13-24-22(26)8-4-5-18-16-25(21-7-3-2-6-20(18)21)15-17-9-11-19(23)12-10-17/h2-3,6-7,9-12,16H,4-5,8,13-15H2,1H3,(H,24,26).
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide?
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide has a molecular weight of 368.45 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 22522977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).