(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide

C24H20FN3O2 — CID 95086738

IUPAC(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1F
InChIInChI=1S/C24H20FN3O2/c1-15-7-10-18(13-20(15)25)27-24(29)16(2)30-19-11-8-17(9-12-19)23-14-26-21-5-3-4-6-22(21)28-23/h3-14,16H,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeySPWMJSFJQOPWQU-MRXNPFEDSA-N
MW401.44 g/mol
LogP5.15
Rot. Bonds5

About (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide

(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (PubChem CID 95086738) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
PubChem CID95086738
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1F
InChIInChI=1S/C24H20FN3O2/c1-15-7-10-18(13-20(15)25)27-24(29)16(2)30-19-11-8-17(9-12-19)23-14-26-21-5-3-4-6-22(21)28-23/h3-14,16H,1-2H3,(H,27,29)/t16-/m1/s1
InChIKeySPWMJSFJQOPWQU-MRXNPFEDSA-N
XLogP5.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
N-(3-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112246
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
N-(4-fluoro-2-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112286
(2R)-N-(3-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086643
N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112242
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide (CID 95086738) is (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1F.
What is the InChIKey of (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
The InChIKey is SPWMJSFJQOPWQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-15-7-10-18(13-20(15)25)27-24(29)16(2)30-19-11-8-17(9-12-19)23-14-26-21-5-3-4-6-22(21)28-23/h3-14,16H,1-2H3,(H,27,29)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide?
(2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide has a molecular weight of 401.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluoro-4-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide is sourced from PubChem (CID 95086738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).