2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

C16H12ClF2N3O5 — CID 8587696

IUPAC2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF2N3O5/c17-11-6-10(22(25)26)2-4-14(11)27-8-16(24)20-7-15(23)21-9-1-3-12(18)13(19)5-9/h1-6H,7-8H2,(H,20,24)(H,21,23)
InChIKeyYEHMXBHTNLVVAB-UHFFFAOYSA-N
MW399.74 g/mol
LogP2.66
Rot. Bonds7

About 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 8587696) has the molecular formula C16H12ClF2N3O5 and a molecular weight of 399.74 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID8587696
Molecular FormulaC16H12ClF2N3O5
Molecular Weight399.74 g/mol
Exact Mass399.04
IUPAC Name2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF2N3O5/c17-11-6-10(22(25)26)2-4-14(11)27-8-16(24)20-7-15(23)21-9-1-3-12(18)13(19)5-9/h1-6H,7-8H2,(H,20,24)(H,21,23)
InChIKeyYEHMXBHTNLVVAB-UHFFFAOYSA-N
XLogP2.66
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.74
LogP ≤ 52.66
H-Bond Donors ≤ 52
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-[[2-(2-benzyl-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 38134685
2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308338
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 27772708
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8587877

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 8587696) is 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is YEHMXBHTNLVVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O5/c17-11-6-10(22(25)26)2-4-14(11)27-8-16(24)20-7-15(23)21-9-1-3-12(18)13(19)5-9/h1-6H,7-8H2,(H,20,24)(H,21,23).
What are the key properties of 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 399.74 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 8587696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).