3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

C27H26F2N2O — CID 42804500

IUPAC3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC(C)c3ccccc3)c3ccc(F)cc3F)c[nH]c12
InChIInChI=1S/C27H26F2N2O/c1-3-18-10-7-11-22-24(16-30-27(18)22)23(21-13-12-20(28)14-25(21)29)15-26(32)31-17(2)19-8-5-4-6-9-19/h4-14,16-17,23,30H,3,15H2,1-2H3,(H,31,32)
InChIKeySQSKGGJYFHKLLN-UHFFFAOYSA-N
MW432.51 g/mol
LogP6.41
Rot. Bonds7

About 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide (PubChem CID 42804500) has the molecular formula C27H26F2N2O and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
PubChem CID42804500
Molecular FormulaC27H26F2N2O
Molecular Weight432.51 g/mol
Exact Mass432.20
IUPAC Name3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC(C)c3ccccc3)c3ccc(F)cc3F)c[nH]c12
InChIInChI=1S/C27H26F2N2O/c1-3-18-10-7-11-22-24(16-30-27(18)22)23(21-13-12-20(28)14-25(21)29)15-26(32)31-17(2)19-8-5-4-6-9-19/h4-14,16-17,23,30H,3,15H2,1-2H3,(H,31,32)
InChIKeySQSKGGJYFHKLLN-UHFFFAOYSA-N
XLogP6.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123805
(3S)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123806
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide
CID 3428544
4-(2,4-difluorophenyl)-2-(7-ethyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 129235177
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide
CID 42774496

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide (CID 42804500) is 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide is CCc1cccc2c(C(CC(=O)NC(C)c3ccccc3)c3ccc(F)cc3F)c[nH]c12.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is SQSKGGJYFHKLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N2O/c1-3-18-10-7-11-22-24(16-30-27(18)22)23(21-13-12-20(28)14-25(21)29)15-26(32)31-17(2)19-8-5-4-6-9-19/h4-14,16-17,23,30H,3,15H2,1-2H3,(H,31,32).
What are the key properties of 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 432.51 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42804500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).