(2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

C28H32F2N2O3 — CID 52946940

IUPAC(2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](CC(CCN(C)Cc1ccc(-c2ccc(F)c(C)c2)cc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C28H32F2N2O3/c1-19-16-23(10-13-26(19)30)21-6-4-20(5-7-21)18-32(2)15-14-24(28(33)31-34)17-27(35-3)22-8-11-25(29)12-9-22/h4-13,16,24,27,34H,14-15,17-18H2,1-3H3,(H,31,33)/t24?,27-/m1/s1
InChIKeyZHYVUKOWYCPYBC-LFHRXCRSSA-N
MW482.57 g/mol
LogP5.66
Rot. Bonds11

About (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

(2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 52946940) has the molecular formula C28H32F2N2O3 and a molecular weight of 482.57 g/mol. Its IUPAC name is (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name(2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID52946940
Molecular FormulaC28H32F2N2O3
Molecular Weight482.57 g/mol
Exact Mass482.24
IUPAC Name(2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](CC(CCN(C)Cc1ccc(-c2ccc(F)c(C)c2)cc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C28H32F2N2O3/c1-19-16-23(10-13-26(19)30)21-6-4-20(5-7-21)18-32(2)15-14-24(28(33)31-34)17-27(35-3)22-8-11-25(29)12-9-22/h4-13,16,24,27,34H,14-15,17-18H2,1-3H3,(H,31,33)/t24?,27-/m1/s1
InChIKeyZHYVUKOWYCPYBC-LFHRXCRSSA-N
XLogP5.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide 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

CID 54582019
CID 54582019
CID 25134297
CID 25134297
CID 54582020
CID 54582020
CID 57345502
CID 57345502
CID 72200759
CID 72200759
CID 25164605
CID 25164605
CID 52945720
CID 52945720
CID 52945792
CID 52945792
CID 52946540
CID 52946540
CID 52947005
CID 52947005
CID 52948143
CID 52948143
CID 54579980
CID 54579980

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (CID 52946940) is (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is CO[C@H](CC(CCN(C)Cc1ccc(-c2ccc(F)c(C)c2)cc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is ZHYVUKOWYCPYBC-LFHRXCRSSA-N. The full InChI is InChI=1S/C28H32F2N2O3/c1-19-16-23(10-13-26(19)30)21-6-4-20(5-7-21)18-32(2)15-14-24(28(33)31-34)17-27(35-3)22-8-11-25(29)12-9-22/h4-13,16,24,27,34H,14-15,17-18H2,1-3H3,(H,31,33)/t24?,27-/m1/s1.
What are the key properties of (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
(2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 482.57 g/mol, XLogP of 5.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 52946940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).