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

C30H23F3N2O — CID 42774253

IUPACN-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C30H23F3N2O/c31-22-13-9-20(10-14-22)18-35-19-26(24-5-1-4-8-29(24)35)25(21-11-15-23(32)16-12-21)17-30(36)34-28-7-3-2-6-27(28)33/h1-16,19,25H,17-18H2,(H,34,36)
InChIKeyFSGPVJYBUQEXSY-UHFFFAOYSA-N
MW484.52 g/mol
LogP7.27
Rot. Bonds7

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

N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide (PubChem CID 42774253) has the molecular formula C30H23F3N2O and a molecular weight of 484.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
PubChem CID42774253
Molecular FormulaC30H23F3N2O
Molecular Weight484.52 g/mol
Exact Mass484.18
IUPAC NameN-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccccc1F
InChIInChI=1S/C30H23F3N2O/c31-22-13-9-20(10-14-22)18-35-19-26(24-5-1-4-8-29(24)35)25(21-11-15-23(32)16-12-21)17-30(36)34-28-7-3-2-6-27(28)33/h1-16,19,25H,17-18H2,(H,34,36)
InChIKeyFSGPVJYBUQEXSY-UHFFFAOYSA-N
XLogP7.27
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 98412228
3-(1-benzylindol-3-yl)-N-(2-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 4142450
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide
CID 83278658
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3880798
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
(3R)-3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93110563
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide (CID 42774253) is N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide is O=C(CC(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
The InChIKey is FSGPVJYBUQEXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N2O/c31-22-13-9-20(10-14-22)18-35-19-26(24-5-1-4-8-29(24)35)25(21-11-15-23(32)16-12-21)17-30(36)34-28-7-3-2-6-27(28)33/h1-16,19,25H,17-18H2,(H,34,36).
What are the key properties of N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide?
N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide has a molecular weight of 484.52 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 42774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).