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

C21H18N2O4 — CID 55674920

IUPAC3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H18N2O4/c24-21(17-9-6-10-18(15-17)23(25)26)22-19-11-4-5-12-20(19)27-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,22,24)
InChIKeyIEJUYCVVESYZND-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.47
Rot. Bonds7

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

3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide (PubChem CID 55674920) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide
PubChem CID55674920
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H18N2O4/c24-21(17-9-6-10-18(15-17)23(25)26)22-19-11-4-5-12-20(19)27-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,22,24)
InChIKeyIEJUYCVVESYZND-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

N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
5-methyl-1-(3-nitrophenyl)-N-[2-(2-phenylethoxy)phenyl]triazole-4-carboxamide
CID 55675132
N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
CID 7925385
3-bromo-N-(2-fluoro-5-nitrophenyl)-4-(2-phenylethoxy)benzamide
CID 17072686
3-[2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
CID 18506192
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55675150
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-(2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzamide
CID 70867899
N-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 8926951
3-nitro-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098235

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide (CID 55674920) is 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide is O=C(Nc1ccccc1OCCc1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is IEJUYCVVESYZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-21(17-9-6-10-18(15-17)23(25)26)22-19-11-4-5-12-20(19)27-14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,22,24).
What are the key properties of 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide?
3-nitro-N-[2-(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 3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 55674920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).