N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide

C15H14N2O4 — CID 102103939

IUPACN-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2NC(C)=O)cc1
InChIInChI=1S/C15H14N2O4/c1-10(18)16-15-9-12(17(19)20)5-8-14(15)11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H,16,18)
InChIKeyZTQIJYPKMARELY-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.23
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide

N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide (PubChem CID 102103939) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide
PubChem CID102103939
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])cc2NC(C)=O)cc1
InChIInChI=1S/C15H14N2O4/c1-10(18)16-15-9-12(17(19)20)5-8-14(15)11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H,16,18)
InChIKeyZTQIJYPKMARELY-UHFFFAOYSA-N
XLogP3.23
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-4-nitrophenyl] hydrogen carbonate
CID 22133672
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700662
(2S)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N,N-di(propan-2-yl)propanamide
CID 9309369
ethyl (E)-3-[2-(4-methoxyphenyl)-5-nitrophenyl]prop-2-enoate
CID 177429908
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
CID 51092432
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510158
N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 7519487

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide (CID 102103939) is N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide is COc1ccc(-c2ccc([N+](=O)[O-])cc2NC(C)=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide?
The InChIKey is ZTQIJYPKMARELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10(18)16-15-9-12(17(19)20)5-8-14(15)11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide?
N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide has a molecular weight of 286.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-nitrophenyl]acetamide is sourced from PubChem (CID 102103939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).