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

C19H19ClF2NO3- — CID 122623333

IUPAC(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide
SMILESCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1C)c1ccc(F)cc1F
InChIInChI=1S/C19H19ClF2NO3/c1-11-7-13(20)4-3-12(11)8-16(18(26-2)10-19(24)23-25)15-6-5-14(21)9-17(15)22/h3-7,9,16,18H,8,10H2,1-2H3,(H-,23,24,25)/q-1/t16-,18-/m1/s1
InChIKeyVLBSPUVRMGYTFI-SJLPKXTDSA-N
MW382.81 g/mol
LogP4.27
Rot. Bonds7

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

(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide (PubChem CID 122623333) has the molecular formula C19H19ClF2NO3- and a molecular weight of 382.81 g/mol. Its IUPAC name is (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide
PubChem CID122623333
Molecular FormulaC19H19ClF2NO3-
Molecular Weight382.81 g/mol
Exact Mass382.10
IUPAC Name(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide
SMILESCO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1C)c1ccc(F)cc1F
InChIInChI=1S/C19H19ClF2NO3/c1-11-7-13(20)4-3-12(11)8-16(18(26-2)10-19(24)23-25)15-6-5-14(21)9-17(15)22/h3-7,9,16,18H,8,10H2,1-2H3,(H-,23,24,25)/q-1/t16-,18-/m1/s1
InChIKeyVLBSPUVRMGYTFI-SJLPKXTDSA-N
XLogP4.27
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 54.27
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

CID 68869455
CID 68869455
CID 68869456
CID 68869456
CID 91419163
CID 91419163
CID 122623218
CID 122623218
CID 122623220
CID 122623220
CID 122623255
CID 122623255
CID 122623285
CID 122623285
CID 122623300
CID 122623300
CID 122623304
CID 122623304
CID 122623307
CID 122623307
CID 122623311
CID 122623311
CID 122623313
CID 122623313

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide?
The IUPAC name of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide (CID 122623333) is (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide?
The canonical SMILES for (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide is CO[C@H](CC(=O)N[O-])[C@H](Cc1ccc(Cl)cc1C)c1ccc(F)cc1F.
What is the InChIKey of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide?
The InChIKey is VLBSPUVRMGYTFI-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H19ClF2NO3/c1-11-7-13(20)4-3-12(11)8-16(18(26-2)10-19(24)23-25)15-6-5-14(21)9-17(15)22/h3-7,9,16,18H,8,10H2,1-2H3,(H-,23,24,25)/q-1/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide?
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide has a molecular weight of 382.81 g/mol, XLogP of 4.27, 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-(2,4-difluorophenyl)-3-methoxy-N-oxidopentanamide is sourced from PubChem (CID 122623333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).