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

C33H31FN2O — CID 5000823

IUPAC3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
SMILESCc1cccc(C(CC(=O)NCCc2ccccc2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C33H31FN2O/c1-24-8-7-11-27(20-24)30(21-33(37)35-19-18-25-9-3-2-4-10-25)31-23-36(32-13-6-5-12-29(31)32)22-26-14-16-28(34)17-15-26/h2-17,20,23,30H,18-19,21-22H2,1H3,(H,35,37)
InChIKeySZNIDBIVDSNODX-UHFFFAOYSA-N
MW490.62 g/mol
LogP7.02
Rot. Bonds9

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

3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide (PubChem CID 5000823) has the molecular formula C33H31FN2O and a molecular weight of 490.62 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
PubChem CID5000823
Molecular FormulaC33H31FN2O
Molecular Weight490.62 g/mol
Exact Mass490.24
IUPAC Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
SMILESCc1cccc(C(CC(=O)NCCc2ccccc2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C33H31FN2O/c1-24-8-7-11-27(20-24)30(21-33(37)35-19-18-25-9-3-2-4-10-25)31-23-36(32-13-6-5-12-29(31)32)22-26-14-16-28(34)17-15-26/h2-17,20,23,30H,18-19,21-22H2,1H3,(H,35,37)
InChIKeySZNIDBIVDSNODX-UHFFFAOYSA-N
XLogP7.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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]-3-(3-methylphenyl)-N-propylpropanamide
CID 92961416
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 92957580
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 3576257
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)-3-(3-methylphenyl)propanamide
CID 4252671
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 93012495
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 5140407
(3S)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 92961932

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide (CID 5000823) is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide is Cc1cccc(C(CC(=O)NCCc2ccccc2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide?
The InChIKey is SZNIDBIVDSNODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN2O/c1-24-8-7-11-27(20-24)30(21-33(37)35-19-18-25-9-3-2-4-10-25)31-23-36(32-13-6-5-12-29(31)32)22-26-14-16-28(34)17-15-26/h2-17,20,23,30H,18-19,21-22H2,1H3,(H,35,37).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide?
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide has a molecular weight of 490.62 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 5000823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).