N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide

C21H15FN2O5 — CID 19644971

IUPACN-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
SMILESO=C(COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O5/c22-16-5-1-14(2-6-16)20(25)13-29-19-11-7-17(8-12-19)23-21(26)15-3-9-18(10-4-15)24(27)28/h1-12H,13H2,(H,23,26)
InChIKeyCGACIEXIGCVJBO-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.25
Rot. Bonds7

About N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide

N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide (PubChem CID 19644971) has the molecular formula C21H15FN2O5 and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
PubChem CID19644971
Molecular FormulaC21H15FN2O5
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC NameN-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
SMILESO=C(COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O5/c22-16-5-1-14(2-6-16)20(25)13-29-19-11-7-17(8-12-19)23-21(26)15-3-9-18(10-4-15)24(27)28/h1-12H,13H2,(H,23,26)
InChIKeyCGACIEXIGCVJBO-UHFFFAOYSA-N
XLogP4.25
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.25
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

4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea
CID 32580686
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 32943243
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide (CID 19644971) is N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide is O=C(COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
The InChIKey is CGACIEXIGCVJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O5/c22-16-5-1-14(2-6-16)20(25)13-29-19-11-7-17(8-12-19)23-21(26)15-3-9-18(10-4-15)24(27)28/h1-12H,13H2,(H,23,26).
What are the key properties of N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide?
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide has a molecular weight of 394.36 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 19644971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).