N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide

C16H13N3O4 — CID 4951222

IUPACN-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H13N3O4/c1-11(23-14-8-6-13(7-9-14)19(21)22)16(20)18-15-5-3-2-4-12(15)10-17/h2-9,11H,1H3,(H,18,20)
InChIKeyIFSRLJZTLKVTKH-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.87
Rot. Bonds5

About N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide

N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 4951222) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
PubChem CID4951222
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC NameN-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H13N3O4/c1-11(23-14-8-6-13(7-9-14)19(21)22)16(20)18-15-5-3-2-4-12(15)10-17/h2-9,11H,1H3,(H,18,20)
InChIKeyIFSRLJZTLKVTKH-UHFFFAOYSA-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

(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952
N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
CID 2944727
(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
CID 7643356
2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 4951327
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
(2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
CID 7643000

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide (CID 4951222) is N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is IFSRLJZTLKVTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-11(23-14-8-6-13(7-9-14)19(21)22)16(20)18-15-5-3-2-4-12(15)10-17/h2-9,11H,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide?
N-(2-cyanophenyl)-2-(4-nitrophenoxy)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 N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 4951222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).