N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C26H26FN3O2 — CID 162668901

IUPACN-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCN(C[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc(O)cc12)c1ccc(F)cc1
InChIInChI=1S/C26H26FN3O2/c1-30(22-9-7-20(27)8-10-22)17-21(13-18-5-3-2-4-6-18)29-26(32)14-19-16-28-25-12-11-23(31)15-24(19)25/h2-12,15-16,21,28,31H,13-14,17H2,1H3,(H,29,32)/t21-/m0/s1
InChIKeyRSDUHPHQLCJRQG-NRFANRHFSA-N
MW431.51 g/mol
LogP4.42
Rot. Bonds8

About N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 162668901) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
PubChem CID162668901
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC NameN-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCN(C[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc(O)cc12)c1ccc(F)cc1
InChIInChI=1S/C26H26FN3O2/c1-30(22-9-7-20(27)8-10-22)17-21(13-18-5-3-2-4-6-18)29-26(32)14-19-16-28-25-12-11-23(31)15-24(19)25/h2-12,15-16,21,28,31H,13-14,17H2,1H3,(H,29,32)/t21-/m0/s1
InChIKeyRSDUHPHQLCJRQG-NRFANRHFSA-N
XLogP4.42
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-chlorophenyl)-2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 163202275
N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 162654341
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-(5-hydroxy-1H-indol-3-yl)-N-[2-phenyl-1-(3-phenyltriazol-4-yl)ethyl]acetamide
CID 90281276
(2S)-2-[[2-(6-hydroxy-1H-indol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 126961234
N-[1-(3-bromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 148787953
N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 90162381
2-(5-fluoro-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 110700278
N-[(1S)-1-(3-bromo-2,3-dihydropyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
CID 118357839
(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 162668810
4-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 71187007
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]acetamide
CID 162666114

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 162668901) is N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is CN(C[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc(O)cc12)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is RSDUHPHQLCJRQG-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-30(22-9-7-20(27)8-10-22)17-21(13-18-5-3-2-4-6-18)29-26(32)14-19-16-28-25-12-11-23(31)15-24(19)25/h2-12,15-16,21,28,31H,13-14,17H2,1H3,(H,29,32)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 431.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 162668901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).