(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide

C19H20ClFNO3- — CID 122623307

IUPAC(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide
SMILESCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1C)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFNO3/c1-12-9-15(20)6-3-14(12)10-17(13-4-7-16(21)8-5-13)18(25-2)11-19(23)22-24/h3-9,17-18H,10-11H2,1-2H3,(H-,22,23,24)/q-1/t17-,18-/m1/s1
InChIKeyLIIGIZXVOLKCHR-QZTJIDSGSA-N
MW364.82 g/mol
LogP4.13
Rot. Bonds7

About (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide

(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide (PubChem CID 122623307) has the molecular formula C19H20ClFNO3- and a molecular weight of 364.82 g/mol. Its IUPAC name is (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide
PubChem CID122623307
Molecular FormulaC19H20ClFNO3-
Molecular Weight364.82 g/mol
Exact Mass364.11
IUPAC Name(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide
SMILESCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1C)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFNO3/c1-12-9-15(20)6-3-14(12)10-17(13-4-7-16(21)8-5-13)18(25-2)11-19(23)22-24/h3-9,17-18H,10-11H2,1-2H3,(H-,22,23,24)/q-1/t17-,18-/m1/s1
InChIKeyLIIGIZXVOLKCHR-QZTJIDSGSA-N
XLogP4.13
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 54.13
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-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869455
2-[4-(3-Chloro-4-fluorophenyl)phenyl]-3-methoxypropanamide
CID 68869456
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-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
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-methoxypentanamide
CID 122623311
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide
CID 122623313

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide?
The IUPAC name of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide (CID 122623307) is (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide?
The canonical SMILES for (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide is CO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1C)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide?
The InChIKey is LIIGIZXVOLKCHR-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20ClFNO3/c1-12-9-15(20)6-3-14(12)10-17(13-4-7-16(21)8-5-13)18(25-2)11-19(23)22-24/h3-9,17-18H,10-11H2,1-2H3,(H-,22,23,24)/q-1/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide?
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide has a molecular weight of 364.82 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide is sourced from PubChem (CID 122623307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).