(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide

C24H22ClF2NO3 — CID 122623373

IUPAC(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide
SMILESO=C(C[C@@H](OCc1ccccc1)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F)NO
InChIInChI=1S/C24H22ClF2NO3/c25-18-8-6-16(7-9-18)12-21(20-11-10-19(26)13-22(20)27)23(14-24(29)28-30)31-15-17-4-2-1-3-5-17/h1-11,13,21,23,30H,12,14-15H2,(H,28,29)/t21-,23-/m1/s1
InChIKeyMPBZIHQBLXEEEF-FYYLOGMGSA-N
MW445.89 g/mol
LogP5.43
Rot. Bonds9

About (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide

(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide (PubChem CID 122623373) has the molecular formula C24H22ClF2NO3 and a molecular weight of 445.89 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide
PubChem CID122623373
Molecular FormulaC24H22ClF2NO3
Molecular Weight445.89 g/mol
Exact Mass445.13
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide
SMILESO=C(C[C@@H](OCc1ccccc1)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F)NO
InChIInChI=1S/C24H22ClF2NO3/c25-18-8-6-16(7-9-18)12-21(20-11-10-19(26)13-22(20)27)23(14-24(29)28-30)31-15-17-4-2-1-3-5-17/h1-11,13,21,23,30H,12,14-15H2,(H,28,29)/t21-,23-/m1/s1
InChIKeyMPBZIHQBLXEEEF-FYYLOGMGSA-N
XLogP5.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.89
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide (CID 122623373) is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide is O=C(C[C@@H](OCc1ccccc1)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F)NO.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide?
The InChIKey is MPBZIHQBLXEEEF-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H22ClF2NO3/c25-18-8-6-16(7-9-18)12-21(20-11-10-19(26)13-22(20)27)23(14-24(29)28-30)31-15-17-4-2-1-3-5-17/h1-11,13,21,23,30H,12,14-15H2,(H,28,29)/t21-,23-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide?
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide has a molecular weight of 445.89 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-phenylmethoxypentanamide is sourced from PubChem (CID 122623373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).