(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide

C17H17FN2O4 — CID 8609346

IUPAC(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H17FN2O4/c1-12(24-16-8-4-7-15(10-16)20(22)23)17(21)19(2)11-13-5-3-6-14(18)9-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyRKJBWMCWDRNRJL-GFCCVEGCSA-N
MW332.33 g/mol
LogP3.16
Rot. Bonds6

About (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide

(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide (PubChem CID 8609346) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide
PubChem CID8609346
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H17FN2O4/c1-12(24-16-8-4-7-15(10-16)20(22)23)17(21)19(2)11-13-5-3-6-14(18)9-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyRKJBWMCWDRNRJL-GFCCVEGCSA-N
XLogP3.16
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
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-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
(2R)-N-[(3-fluorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylpropanamide
CID 8537713
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
N-methyl-1-(3-nitrophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 112841430
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate
CID 8535836
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865303
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 55373200
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9345112

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide (CID 8609346) is (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide is C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide?
The InChIKey is RKJBWMCWDRNRJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-12(24-16-8-4-7-15(10-16)20(22)23)17(21)19(2)11-13-5-3-6-14(18)9-13/h3-10,12H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide?
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide has a molecular weight of 332.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 8609346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).