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

C29H31FN2O — CID 3576257

IUPAC3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1cccc(C(CC(=O)NCC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C29H31FN2O/c1-20(2)17-31-29(33)16-26(23-8-6-7-21(3)15-23)27-19-32(28-10-5-4-9-25(27)28)18-22-11-13-24(30)14-12-22/h4-15,19-20,26H,16-18H2,1-3H3,(H,31,33)
InChIKeyHWQZAJSLAUDDAE-UHFFFAOYSA-N
MW442.58 g/mol
LogP6.43
Rot. Bonds8

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

3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 3576257) has the molecular formula C29H31FN2O and a molecular weight of 442.58 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
PubChem CID3576257
Molecular FormulaC29H31FN2O
Molecular Weight442.58 g/mol
Exact Mass442.24
IUPAC Name3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1cccc(C(CC(=O)NCC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1
InChIInChI=1S/C29H31FN2O/c1-20(2)17-31-29(33)16-26(23-8-6-7-21(3)15-23)27-19-32(28-10-5-4-9-25(27)28)18-22-11-13-24(30)14-12-22/h4-15,19-20,26H,16-18H2,1-3H3,(H,31,33)
InChIKeyHWQZAJSLAUDDAE-UHFFFAOYSA-N
XLogP6.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 92957580
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
(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]-3-(3-methylphenyl)-N-propylpropanamide
CID 92961416
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 93012495
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)-3-(3-methylphenyl)propanamide
CID 4252671
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
CID 3620283
(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 93114906
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (CID 3576257) is 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide is Cc1cccc(C(CC(=O)NCC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is HWQZAJSLAUDDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O/c1-20(2)17-31-29(33)16-26(23-8-6-7-21(3)15-23)27-19-32(28-10-5-4-9-25(27)28)18-22-11-13-24(30)14-12-22/h4-15,19-20,26H,16-18H2,1-3H3,(H,31,33).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 442.58 g/mol, XLogP of 6.43, 8 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-methylpropyl)propanamide is sourced from PubChem (CID 3576257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).