N-[4-(2-nitrophenoxy)phenyl]benzamide

C19H14N2O4 — CID 9110945

IUPACN-[4-(2-nitrophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C19H14N2O4/c22-19(14-6-2-1-3-7-14)20-15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)21(23)24/h1-13H,(H,20,22)
InChIKeyPTPDWFBGHNYXGS-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.64
Rot. Bonds5

About N-[4-(2-nitrophenoxy)phenyl]benzamide

N-[4-(2-nitrophenoxy)phenyl]benzamide (PubChem CID 9110945) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[4-(2-nitrophenoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-nitrophenoxy)phenyl]benzamide
PubChem CID9110945
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC NameN-[4-(2-nitrophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C19H14N2O4/c22-19(14-6-2-1-3-7-14)20-15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)21(23)24/h1-13H,(H,20,22)
InChIKeyPTPDWFBGHNYXGS-UHFFFAOYSA-N
XLogP4.64
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.64
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-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
[4-(2-nitrophenoxy)phenyl]phosphonic acid
CID 18506154
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
2,4-dinitro-6-phenoxy-N-phenylbenzamide
CID 10714726
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
N-(4-methoxyphenyl)-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 1250349
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
N-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]benzamide
CID 8007533
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-nitrophenoxy)phenyl]benzamide?
The IUPAC name of N-[4-(2-nitrophenoxy)phenyl]benzamide (CID 9110945) is N-[4-(2-nitrophenoxy)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-nitrophenoxy)phenyl]benzamide?
The canonical SMILES for N-[4-(2-nitrophenoxy)phenyl]benzamide is O=C(Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-nitrophenoxy)phenyl]benzamide?
The InChIKey is PTPDWFBGHNYXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-19(14-6-2-1-3-7-14)20-15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)21(23)24/h1-13H,(H,20,22).
What are the key properties of N-[4-(2-nitrophenoxy)phenyl]benzamide?
N-[4-(2-nitrophenoxy)phenyl]benzamide has a molecular weight of 334.33 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-nitrophenoxy)phenyl]benzamide is sourced from PubChem (CID 9110945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).