3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide

C31H28FN3O — CID 3880798

IUPAC3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(Cn2cc(C(CC(=O)NCc3ccccn3)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C31H28FN3O/c1-22-9-11-23(12-10-22)20-35-21-29(27-7-2-3-8-30(27)35)28(24-13-15-25(32)16-14-24)18-31(36)34-19-26-6-4-5-17-33-26/h2-17,21,28H,18-20H2,1H3,(H,34,36)
InChIKeyWIVFOZBDDFOBGM-UHFFFAOYSA-N
MW477.58 g/mol
LogP6.37
Rot. Bonds8

About 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide

3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3880798) has the molecular formula C31H28FN3O and a molecular weight of 477.58 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3880798
Molecular FormulaC31H28FN3O
Molecular Weight477.58 g/mol
Exact Mass477.22
IUPAC Name3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(Cn2cc(C(CC(=O)NCc3ccccn3)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C31H28FN3O/c1-22-9-11-23(12-10-22)20-35-21-29(27-7-2-3-8-30(27)35)28(24-13-15-25(32)16-14-24)18-31(36)34-19-26-6-4-5-17-33-26/h2-17,21,28H,18-20H2,1H3,(H,34,36)
InChIKeyWIVFOZBDDFOBGM-UHFFFAOYSA-N
XLogP6.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.58
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5003122
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83288318
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169
3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 42801417
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(4-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 98443619
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488623
(3S)-3-(2-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 98773661

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 3880798) is 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(Cn2cc(C(CC(=O)NCc3ccccn3)c3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WIVFOZBDDFOBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN3O/c1-22-9-11-23(12-10-22)20-35-21-29(27-7-2-3-8-30(27)35)28(24-13-15-25(32)16-14-24)18-31(36)34-19-26-6-4-5-17-33-26/h2-17,21,28H,18-20H2,1H3,(H,34,36).
What are the key properties of 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 477.58 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3880798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).