N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide

C33H31FN2O — CID 42801280

IUPACN-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
SMILESCCn1cc(C(CC(=O)NC(Cc2ccccc2)c2ccccc2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C33H31FN2O/c1-2-36-23-30(28-15-9-10-16-32(28)36)29(25-17-19-27(34)20-18-25)22-33(37)35-31(26-13-7-4-8-14-26)21-24-11-5-3-6-12-24/h3-20,23,29,31H,2,21-22H2,1H3,(H,35,37)
InChIKeyHWCXKLGFCMCZQA-UHFFFAOYSA-N
MW490.62 g/mol
LogP7.42
Rot. Bonds9

About N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide

N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide (PubChem CID 42801280) has the molecular formula C33H31FN2O and a molecular weight of 490.62 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
PubChem CID42801280
Molecular FormulaC33H31FN2O
Molecular Weight490.62 g/mol
Exact Mass490.24
IUPAC NameN-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
SMILESCCn1cc(C(CC(=O)NC(Cc2ccccc2)c2ccccc2)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C33H31FN2O/c1-2-36-23-30(28-15-9-10-16-32(28)36)29(25-17-19-27(34)20-18-25)22-33(37)35-31(26-13-7-4-8-14-26)21-24-11-5-3-6-12-24/h3-20,23,29,31H,2,21-22H2,1H3,(H,35,37)
InChIKeyHWCXKLGFCMCZQA-UHFFFAOYSA-N
XLogP7.42
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 ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 93119937
N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 42776899
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 93119934
(3S)-N-benzhydryl-3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanamide
CID 93119964
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 93012495
(3R)-N-[(2S)-butan-2-yl]-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 93012491
N-(2-fluorophenyl)-3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 42774253
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
(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-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide (CID 42801280) is N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide is CCn1cc(C(CC(=O)NC(Cc2ccccc2)c2ccccc2)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide?
The InChIKey is HWCXKLGFCMCZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN2O/c1-2-36-23-30(28-15-9-10-16-32(28)36)29(25-17-19-27(34)20-18-25)22-33(37)35-31(26-13-7-4-8-14-26)21-24-11-5-3-6-12-24/h3-20,23,29,31H,2,21-22H2,1H3,(H,35,37).
What are the key properties of N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide?
N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide has a molecular weight of 490.62 g/mol, XLogP of 7.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 42801280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).