(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide

C19H20ClF2NO3 — CID 122623220

IUPAC(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20ClF2NO3/c1-2-26-18(11-19(24)23-25)16(9-12-3-5-13(20)6-4-12)15-8-7-14(21)10-17(15)22/h3-8,10,16,18,25H,2,9,11H2,1H3,(H,23,24)/t16-,18-/m1/s1
InChIKeyLRQBGFUQXOIFTO-SJLPKXTDSA-N
MW383.82 g/mol
LogP4.25
Rot. Bonds8

About (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide

(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide (PubChem CID 122623220) has the molecular formula C19H20ClF2NO3 and a molecular weight of 383.82 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
PubChem CID122623220
Molecular FormulaC19H20ClF2NO3
Molecular Weight383.82 g/mol
Exact Mass383.11
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20ClF2NO3/c1-2-26-18(11-19(24)23-25)16(9-12-3-5-13(20)6-4-12)15-8-7-14(21)10-17(15)22/h3-8,10,16,18,25H,2,9,11H2,1H3,(H,23,24)/t16-,18-/m1/s1
InChIKeyLRQBGFUQXOIFTO-SJLPKXTDSA-N
XLogP4.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.82
LogP ≤ 54.25
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

CID 73669632
CID 73669632
CID 68869456
CID 68869456
CID 90706905
CID 90706905
CID 91419163
CID 91419163
CID 122623218
CID 122623218
CID 122623232
CID 122623232
CID 122623255
CID 122623255
CID 122623257
CID 122623257
CID 122623285
CID 122623285
CID 122623300
CID 122623300
CID 122623304
CID 122623304
CID 122623307
CID 122623307

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide (CID 122623220) is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide is CCO[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)-3-ethoxy-N-hydroxypentanamide?
The InChIKey is LRQBGFUQXOIFTO-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H20ClF2NO3/c1-2-26-18(11-19(24)23-25)16(9-12-3-5-13(20)6-4-12)15-8-7-14(21)10-17(15)22/h3-8,10,16,18,25H,2,9,11H2,1H3,(H,23,24)/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide?
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide has a molecular weight of 383.82 g/mol, XLogP of 4.25, 8 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)-3-ethoxy-N-hydroxypentanamide is sourced from PubChem (CID 122623220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).