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

C19H14N2O3 — CID 173440643

IUPACN-[4-(3-nitrophenyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-19(15-5-2-1-3-6-15)20-17-11-9-14(10-12-17)16-7-4-8-18(13-16)21(23)24/h1-13H,(H,20,22)
InChIKeyXTOKZSKLTOPHOK-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.51
Rot. Bonds4

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

N-[4-(3-nitrophenyl)phenyl]benzamide (PubChem CID 173440643) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[4-(3-nitrophenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-nitrophenyl)phenyl]benzamide
PubChem CID173440643
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC NameN-[4-(3-nitrophenyl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C19H14N2O3/c22-19(15-5-2-1-3-6-15)20-17-11-9-14(10-12-17)16-7-4-8-18(13-16)21(23)24/h1-13H,(H,20,22)
InChIKeyXTOKZSKLTOPHOK-UHFFFAOYSA-N
XLogP4.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
3-methyl-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 122714277
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-nitrophenyl)phenyl]benzamide?
The IUPAC name of N-[4-(3-nitrophenyl)phenyl]benzamide (CID 173440643) is N-[4-(3-nitrophenyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(3-nitrophenyl)phenyl]benzamide?
The canonical SMILES for N-[4-(3-nitrophenyl)phenyl]benzamide is O=C(Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3-nitrophenyl)phenyl]benzamide?
The InChIKey is XTOKZSKLTOPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(15-5-2-1-3-6-15)20-17-11-9-14(10-12-17)16-7-4-8-18(13-16)21(23)24/h1-13H,(H,20,22).
What are the key properties of N-[4-(3-nitrophenyl)phenyl]benzamide?
N-[4-(3-nitrophenyl)phenyl]benzamide has a molecular weight of 318.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-nitrophenyl)phenyl]benzamide is sourced from PubChem (CID 173440643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).