(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide

C16H15FN2O4 — CID 7438408

IUPAC(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O4/c1-10-4-3-5-13(8-10)18-16(20)11(2)23-15-9-12(17)6-7-14(15)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyYSNQDHPRTCGEKK-LLVKDONJSA-N
MW318.30 g/mol
LogP3.45
Rot. Bonds5

About (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide

(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide (PubChem CID 7438408) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
PubChem CID7438408
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15FN2O4/c1-10-4-3-5-13(8-10)18-16(20)11(2)23-15-9-12(17)6-7-14(15)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyYSNQDHPRTCGEKK-LLVKDONJSA-N
XLogP3.45
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.45
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'}

Analyze (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
(2S)-N-(3-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384222
(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438440
(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522
(2S)-2-(2-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 7819322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide (CID 7438408) is (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
The InChIKey is YSNQDHPRTCGEKK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-10-4-3-5-13(8-10)18-16(20)11(2)23-15-9-12(17)6-7-14(15)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide has a molecular weight of 318.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7438408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).