4-nitro-N-(2-phenylmethoxyethyl)benzamide

C16H16N2O4 — CID 99818504

IUPAC4-nitro-N-(2-phenylmethoxyethyl)benzamide
SMILESO=C(NCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c19-16(14-6-8-15(9-7-14)18(20)21)17-10-11-22-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,19)
InChIKeyYXCNXUKBFIHNST-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.54
Rot. Bonds7

About 4-nitro-N-(2-phenylmethoxyethyl)benzamide

4-nitro-N-(2-phenylmethoxyethyl)benzamide (PubChem CID 99818504) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-nitro-N-(2-phenylmethoxyethyl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(2-phenylmethoxyethyl)benzamide
PubChem CID99818504
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-nitro-N-(2-phenylmethoxyethyl)benzamide
SMILESO=C(NCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c19-16(14-6-8-15(9-7-14)18(20)21)17-10-11-22-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,19)
InChIKeyYXCNXUKBFIHNST-UHFFFAOYSA-N
XLogP2.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dinitro-N-(2-phenylmethoxyethyl)benzamide
CID 563554
3-amino-5-nitro-N-(2-phenylmethoxyethyl)benzamide
CID 143923107
N-[2-(2-bromoethoxy)ethyl]-4-nitrobenzamide
CID 114309382
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
benzyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170563898
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
[2-oxo-2-(2-phenylethylamino)ethyl] 3-[(4-nitrobenzoyl)amino]propanoate
CID 29200938
2-benzamidoethyl nitrate
CID 10536408
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
N-[3-(2-chloroethoxy)propyl]-4-nitrobenzamide
CID 114171314
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
4-nitro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 9482968

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-phenylmethoxyethyl)benzamide?
The IUPAC name of 4-nitro-N-(2-phenylmethoxyethyl)benzamide (CID 99818504) is 4-nitro-N-(2-phenylmethoxyethyl)benzamide.
What is the SMILES notation for 4-nitro-N-(2-phenylmethoxyethyl)benzamide?
The canonical SMILES for 4-nitro-N-(2-phenylmethoxyethyl)benzamide is O=C(NCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(2-phenylmethoxyethyl)benzamide?
The InChIKey is YXCNXUKBFIHNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-16(14-6-8-15(9-7-14)18(20)21)17-10-11-22-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,17,19).
What are the key properties of 4-nitro-N-(2-phenylmethoxyethyl)benzamide?
4-nitro-N-(2-phenylmethoxyethyl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-phenylmethoxyethyl)benzamide is sourced from PubChem (CID 99818504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).