N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide

C17H16F2N2O6 — CID 46650196

IUPACN-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1OC(C)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H16F2N2O6/c1-10(26-15-9-11(21(23)24)7-8-14(15)25-2)16(22)20-12-5-3-4-6-13(12)27-17(18)19/h3-10,17H,1-2H3,(H,20,22)
InChIKeyDNNPXMHMTYNZCO-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide

N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide (PubChem CID 46650196) has the molecular formula C17H16F2N2O6 and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
PubChem CID46650196
Molecular FormulaC17H16F2N2O6
Molecular Weight382.32 g/mol
Exact Mass382.10
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1OC(C)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H16F2N2O6/c1-10(26-15-9-11(21(23)24)7-8-14(15)25-2)16(22)20-12-5-3-4-6-13(12)27-17(18)19/h3-10,17H,1-2H3,(H,20,22)
InChIKeyDNNPXMHMTYNZCO-UHFFFAOYSA-N
XLogP3.61
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947249
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594
(2R)-2-(2-fluoro-4-nitrophenoxy)-N-(2-fluorophenyl)propanamide
CID 94535804

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide (CID 46650196) is N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1OC(C)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide?
The InChIKey is DNNPXMHMTYNZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O6/c1-10(26-15-9-11(21(23)24)7-8-14(15)25-2)16(22)20-12-5-3-4-6-13(12)27-17(18)19/h3-10,17H,1-2H3,(H,20,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide?
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide has a molecular weight of 382.32 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide is sourced from PubChem (CID 46650196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).