(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide

C16H13N3O4 — CID 7832898

IUPAC(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O4/c1-11(23-15-8-2-12(10-17)3-9-15)16(20)18-13-4-6-14(7-5-13)19(21)22/h2-9,11H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyQKFBWIPXOFEBPD-LLVKDONJSA-N
MW311.30 g/mol
LogP2.87
Rot. Bonds5

About (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide

(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide (PubChem CID 7832898) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
PubChem CID7832898
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13N3O4/c1-11(23-15-8-2-12(10-17)3-9-15)16(20)18-13-4-6-14(7-5-13)19(21)22/h2-9,11H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyQKFBWIPXOFEBPD-LLVKDONJSA-N
XLogP2.87
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7831539
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide (CID 7832898) is (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide?
The InChIKey is QKFBWIPXOFEBPD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-11(23-15-8-2-12(10-17)3-9-15)16(20)18-13-4-6-14(7-5-13)19(21)22/h2-9,11H,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide?
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide has a molecular weight of 311.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 7832898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).