2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide

C21H18N2O4 — CID 17142104

IUPAC2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O4/c24-21(19-11-4-5-12-20(19)23(25)26)22-17-9-6-10-18(15-17)27-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,22,24)
InChIKeyZNIQBCLUVIFXBX-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.47
Rot. Bonds7

About 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide

2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide (PubChem CID 17142104) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
PubChem CID17142104
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O4/c24-21(19-11-4-5-12-20(19)23(25)26)22-17-9-6-10-18(15-17)27-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,22,24)
InChIKeyZNIQBCLUVIFXBX-UHFFFAOYSA-N
XLogP4.47
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.47
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-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154668
2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
CID 17133169
ethane;2-nitro-N-(3-propylphenyl)benzamide
CID 90843010
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-nitrobenzamide
CID 43912124
5-bromo-2-methoxy-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142257

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide (CID 17142104) is 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide is O=C(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is ZNIQBCLUVIFXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-21(19-11-4-5-12-20(19)23(25)26)22-17-9-6-10-18(15-17)27-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,22,24).
What are the key properties of 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide?
2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 17142104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).