N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide

C21H16N2O5 — CID 40628670

IUPACN-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1
InChIInChI=1S/C21H16N2O5/c1-14(24)22-17-8-5-9-18(13-17)28-20-11-10-16(12-19(20)23(26)27)21(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,24)
InChIKeyYPACEXNPNGVVJS-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.58
Rot. Bonds6

About N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide

N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide (PubChem CID 40628670) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide
PubChem CID40628670
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1
InChIInChI=1S/C21H16N2O5/c1-14(24)22-17-8-5-9-18(13-17)28-20-11-10-16(12-19(20)23(26)27)21(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,24)
InChIKeyYPACEXNPNGVVJS-UHFFFAOYSA-N
XLogP4.58
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.58
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

(3-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975
3-(4-benzoyl-2-nitrophenoxy)benzaldehyde
CID 9281409
1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanone
CID 9112145
(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone
CID 1336772
3-(4-acetyl-2-nitrophenoxy)-N-benzylbenzamide
CID 9112726
1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]-phenylmethanone
CID 9112236
4-(3-acetylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
CID 4606659
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-nitrophenyl]-phenylmethanone
CID 18197474
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
methyl 3-(4-methyl-2-nitrophenoxy)benzoate
CID 133413619
3-nitro-4-[2-oxo-2-(3-phenoxyanilino)ethyl]sulfanylbenzamide
CID 2487088

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide?
The IUPAC name of N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide (CID 40628670) is N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide is CC(=O)Nc1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide?
The InChIKey is YPACEXNPNGVVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-14(24)22-17-8-5-9-18(13-17)28-20-11-10-16(12-19(20)23(26)27)21(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,24).
What are the key properties of N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide?
N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide has a molecular weight of 376.37 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide is sourced from PubChem (CID 40628670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).