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

C19H19ClF2NO3- — CID 122623300

IUPAC(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide
SMILESCCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19ClF2NO3/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/h3-8,10,16,18H,2,9,11H2,1H3,(H-,23,24,25)/q-1/t16-,18-/m1/s1
InChIKeyQMYBLUWCFSDPIJ-SJLPKXTDSA-N
MW382.81 g/mol
LogP4.35
Rot. Bonds8

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

(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide (PubChem CID 122623300) has the molecular formula C19H19ClF2NO3- and a molecular weight of 382.81 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide
PubChem CID122623300
Molecular FormulaC19H19ClF2NO3-
Molecular Weight382.81 g/mol
Exact Mass382.10
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide
SMILESCCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19ClF2NO3/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/h3-8,10,16,18H,2,9,11H2,1H3,(H-,23,24,25)/q-1/t16-,18-/m1/s1
InChIKeyQMYBLUWCFSDPIJ-SJLPKXTDSA-N
XLogP4.35
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-chloro-2-methylphenyl)-4-(4-fluorophenyl)-N-hydroxy-3-methoxypentanamide
CID 122623304
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide
CID 122623307

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide (CID 122623300) is (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide is CCO[C@H](CC(=O)N[O-])[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-oxidopentanamide?
The InChIKey is QMYBLUWCFSDPIJ-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H19ClF2NO3/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/h3-8,10,16,18H,2,9,11H2,1H3,(H-,23,24,25)/q-1/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide?
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide has a molecular weight of 382.81 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 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-oxidopentanamide is sourced from PubChem (CID 122623300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).