N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide

C17H15FN2O5 — CID 7438373

IUPACN-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H15FN2O5/c1-2-17(22)19-13-6-3-11(4-7-13)15(21)10-25-16-9-12(18)5-8-14(16)20(23)24/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyWXFPQAXRIYEOQM-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.34
Rot. Bonds7

About N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide

N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide (PubChem CID 7438373) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
PubChem CID7438373
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC NameN-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H15FN2O5/c1-2-17(22)19-13-6-3-11(4-7-13)15(21)10-25-16-9-12(18)5-8-14(16)20(23)24/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyWXFPQAXRIYEOQM-UHFFFAOYSA-N
XLogP3.34
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.34
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'}

Analyze N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697
N-(dicyclopropylmethyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 29469200
dimethyl 2-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2690933
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide (CID 7438373) is N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide?
The InChIKey is WXFPQAXRIYEOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5/c1-2-17(22)19-13-6-3-11(4-7-13)15(21)10-25-16-9-12(18)5-8-14(16)20(23)24/h3-9H,2,10H2,1H3,(H,19,22).
What are the key properties of N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide?
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide has a molecular weight of 346.31 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide is sourced from PubChem (CID 7438373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).