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

C20H22ClF2NO3 — CID 122623346

IUPAC(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide
SMILESCCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H22ClF2NO3/c1-2-9-27-19(12-20(25)24-26)17(10-13-3-5-14(21)6-4-13)16-8-7-15(22)11-18(16)23/h3-8,11,17,19,26H,2,9-10,12H2,1H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyACNJAWNAJMCZHH-IEBWSBKVSA-N
MW397.85 g/mol
LogP4.64
Rot. Bonds9

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

(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide (PubChem CID 122623346) has the molecular formula C20H22ClF2NO3 and a molecular weight of 397.85 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide
PubChem CID122623346
Molecular FormulaC20H22ClF2NO3
Molecular Weight397.85 g/mol
Exact Mass397.13
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide
SMILESCCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C20H22ClF2NO3/c1-2-9-27-19(12-20(25)24-26)17(10-13-3-5-14(21)6-4-13)16-8-7-15(22)11-18(16)23/h3-8,11,17,19,26H,2,9-10,12H2,1H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyACNJAWNAJMCZHH-IEBWSBKVSA-N
XLogP4.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.64
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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Related Compounds

3-(2,4-dichlorophenyl)-5-[2-(4-fluorophenyl)ethoxy]-N-hydroxypentanamide
CID 73669632
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869456
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-3-methoxybutanamide
CID 90706905
3-(4-Chlorophenyl)-2-(3-fluorophenyl)-4-methoxybutanamide
CID 91419163
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 122623218
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 122623220
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide
CID 122623232
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)pentanamide
CID 122623255
(3R,4R)-3-ethoxy-5-(4-ethylphenyl)-4-(4-fluorophenyl)-N-hydroxypentanamide
CID 122623257
(3R,4R)-3-butoxy-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxypentanamide
CID 122623285
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide
CID 122623300
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-N-hydroxy-3-methoxypentanamide
CID 122623304

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide (CID 122623346) is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide is CCCO[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-propoxypentanamide?
The InChIKey is ACNJAWNAJMCZHH-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H22ClF2NO3/c1-2-9-27-19(12-20(25)24-26)17(10-13-3-5-14(21)6-4-13)16-8-7-15(22)11-18(16)23/h3-8,11,17,19,26H,2,9-10,12H2,1H3,(H,24,25)/t17-,19-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide?
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-propoxypentanamide has a molecular weight of 397.85 g/mol, XLogP of 4.64, 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-propoxypentanamide is sourced from PubChem (CID 122623346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).