(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

C16H14ClFN2O4 — CID 1293039

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClFN2O4/c1-9-7-11(17)3-6-15(9)24-10(2)16(21)19-12-4-5-13(18)14(8-12)20(22)23/h3-8,10H,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyHMFHXRLSEKUCKN-SNVBAGLBSA-N
MW352.75 g/mol
LogP4.10
Rot. Bonds5

About (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 1293039) has the molecular formula C16H14ClFN2O4 and a molecular weight of 352.75 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID1293039
Molecular FormulaC16H14ClFN2O4
Molecular Weight352.75 g/mol
Exact Mass352.06
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14ClFN2O4/c1-9-7-11(17)3-6-15(9)24-10(2)16(21)19-12-4-5-13(18)14(8-12)20(22)23/h3-8,10H,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyHMFHXRLSEKUCKN-SNVBAGLBSA-N
XLogP4.10
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 78760052
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 3381118
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
2-(4-chloro-2-methylphenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 4158916
[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 46627597
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384234
(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7831539

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide (CID 1293039) is (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is HMFHXRLSEKUCKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14ClFN2O4/c1-9-7-11(17)3-6-15(9)24-10(2)16(21)19-12-4-5-13(18)14(8-12)20(22)23/h3-8,10H,1-2H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 352.75 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 1293039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).