3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide

C26H25FN2O — CID 20899970

IUPAC3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C26H25FN2O/c27-24-12-6-4-10-22(24)19-29-18-21(23-11-5-7-13-25(23)29)14-15-26(30)28-17-16-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,28,30)
InChIKeyCJCBRWAJHCPURC-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.12
Rot. Bonds8

About 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide (PubChem CID 20899970) has the molecular formula C26H25FN2O and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
PubChem CID20899970
Molecular FormulaC26H25FN2O
Molecular Weight400.50 g/mol
Exact Mass400.20
IUPAC Name3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C26H25FN2O/c27-24-12-6-4-10-22(24)19-29-18-21(23-11-5-7-13-25(23)29)14-15-26(30)28-17-16-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,28,30)
InChIKeyCJCBRWAJHCPURC-UHFFFAOYSA-N
XLogP5.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 20899972
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
N-[2-(cyclohexen-1-yl)ethyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899982
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide
CID 20899830
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899973
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide
CID 92721951
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 164781458
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 92721949
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20900094
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide (CID 20899970) is 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide is O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NCCc1ccccc1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is CJCBRWAJHCPURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O/c27-24-12-6-4-10-22(24)19-29-18-21(23-11-5-7-13-25(23)29)14-15-26(30)28-17-16-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,28,30).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 400.50 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 20899970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).