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

C18H18ClF2NO3 — CID 122623311

IUPAC(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H18ClF2NO3/c1-25-17(10-18(23)22-24)15(8-11-2-4-12(19)5-3-11)14-7-6-13(20)9-16(14)21/h2-7,9,15,17,24H,8,10H2,1H3,(H,22,23)/t15-,17-/m1/s1
InChIKeyLTIUGJKVUHNDLA-NVXWUHKLSA-N
MW369.80 g/mol
LogP3.86
Rot. Bonds7

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

(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide (PubChem CID 122623311) has the molecular formula C18H18ClF2NO3 and a molecular weight of 369.80 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide
PubChem CID122623311
Molecular FormulaC18H18ClF2NO3
Molecular Weight369.80 g/mol
Exact Mass369.09
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H18ClF2NO3/c1-25-17(10-18(23)22-24)15(8-11-2-4-12(19)5-3-11)14-7-6-13(20)9-16(14)21/h2-7,9,15,17,24H,8,10H2,1H3,(H,22,23)/t15-,17-/m1/s1
InChIKeyLTIUGJKVUHNDLA-NVXWUHKLSA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.86
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide (CID 122623311) is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide?
The InChIKey is LTIUGJKVUHNDLA-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H18ClF2NO3/c1-25-17(10-18(23)22-24)15(8-11-2-4-12(19)5-3-11)14-7-6-13(20)9-16(14)21/h2-7,9,15,17,24H,8,10H2,1H3,(H,22,23)/t15-,17-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide?
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide has a molecular weight of 369.80 g/mol, XLogP of 3.86, 7 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-methoxypentanamide is sourced from PubChem (CID 122623311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).