N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide

C17H15F2NO5 — CID 7612096

IUPACN-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-14-7-2-11(9-21)8-15(14)24-10-16(22)20-12-3-5-13(6-4-12)25-17(18)19/h2-9,17H,10H2,1H3,(H,20,22)
InChIKeyOHUNDPHNIKZQTI-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.13
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide (PubChem CID 7612096) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
PubChem CID7612096
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-14-7-2-11(9-21)8-15(14)24-10-16(22)20-12-3-5-13(6-4-12)25-17(18)19/h2-9,17H,10H2,1H3,(H,20,22)
InChIKeyOHUNDPHNIKZQTI-UHFFFAOYSA-N
XLogP3.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
N-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713910
N-(3-chloro-4-methylphenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611638
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913003
N-[4-(difluoromethoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 2323436
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
2-(4-formyl-2-methoxyphenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 7894150
butyl 4-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]benzoate
CID 7894174
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
CID 23409469

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide (CID 7612096) is N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide is COc1ccc(C=O)cc1OCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is OHUNDPHNIKZQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-23-14-7-2-11(9-21)8-15(14)24-10-16(22)20-12-3-5-13(6-4-12)25-17(18)19/h2-9,17H,10H2,1H3,(H,20,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 351.31 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(5-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 7612096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).