4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide

C20H16N2O4 — CID 18476102

IUPAC4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)cc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c1-26-19-10-9-15(13-5-7-14(8-6-13)20(21)23)12-18(19)16-3-2-4-17(11-16)22(24)25/h2-12H,1H3,(H2,21,23)
InChIKeyYDIUGKOMDDOFEW-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.04
Rot. Bonds5

About 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide

4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide (PubChem CID 18476102) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
PubChem CID18476102
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(C(N)=O)cc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N2O4/c1-26-19-10-9-15(13-5-7-14(8-6-13)20(21)23)12-18(19)16-3-2-4-17(11-16)22(24)25/h2-12H,1H3,(H2,21,23)
InChIKeyYDIUGKOMDDOFEW-UHFFFAOYSA-N
XLogP4.04
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.04
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

4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
3-[4-methoxy-3-(3-nitrophenyl)phenyl]butan-1-amine
CID 82542490
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
CID 18672595
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide?
The IUPAC name of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide (CID 18476102) is 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide?
The canonical SMILES for 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide is COc1ccc(-c2ccc(C(N)=O)cc2)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide?
The InChIKey is YDIUGKOMDDOFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-26-19-10-9-15(13-5-7-14(8-6-13)20(21)23)12-18(19)16-3-2-4-17(11-16)22(24)25/h2-12H,1H3,(H2,21,23).
What are the key properties of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide?
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide has a molecular weight of 348.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide is sourced from PubChem (CID 18476102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).