N-[dideuterio-(4-nitrophenyl)methoxy]benzamide

C14H12N2O4 — CID 10061879

IUPACN-[dideuterio-(4-nitrophenyl)methoxy]benzamide
SMILES[2H]C([2H])(ONC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c17-14(12-4-2-1-3-5-12)15-20-10-11-6-8-13(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)/i10D2
InChIKeyJRZSJGVZYMTGIU-KBMKNGFXSA-N
MW274.27 g/mol
LogP2.46
Rot. Bonds5

About N-[dideuterio-(4-nitrophenyl)methoxy]benzamide

N-[dideuterio-(4-nitrophenyl)methoxy]benzamide (PubChem CID 10061879) has the molecular formula C14H12N2O4 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[dideuterio-(4-nitrophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[dideuterio-(4-nitrophenyl)methoxy]benzamide
PubChem CID10061879
Molecular FormulaC14H12N2O4
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC NameN-[dideuterio-(4-nitrophenyl)methoxy]benzamide
SMILES[2H]C([2H])(ONC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c17-14(12-4-2-1-3-5-12)15-20-10-11-6-8-13(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)/i10D2
InChIKeyJRZSJGVZYMTGIU-KBMKNGFXSA-N
XLogP2.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.46
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-[(4-nitrobenzoyl)amino]oxyacetic acid
CID 60668150
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
N-[1-dimethoxyphosphoryl-2-(4-nitrophenyl)ethyl]benzamide
CID 85367009
(4-nitrophenyl) (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 100958295
4-nitrobenzohydrazide;hydrochloride
CID 172718286
(4-nitrophenyl)methyl (2R,5S)-5-benzamidopiperidine-2-carboxylate
CID 66871344
(2S)-2-benzamido-2-[(4-nitrophenyl)methyl]butanoic acid
CID 68845942
(4-nitrophenyl)methyl 2-benzoylbenzoate
CID 4601461
[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] benzoate
CID 5361930
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942
4-nitro-N-(2-phenylmethoxyethyl)benzamide
CID 99818504

Frequently Asked Questions

What is the IUPAC name of N-[dideuterio-(4-nitrophenyl)methoxy]benzamide?
The IUPAC name of N-[dideuterio-(4-nitrophenyl)methoxy]benzamide (CID 10061879) is N-[dideuterio-(4-nitrophenyl)methoxy]benzamide.
What is the SMILES notation for N-[dideuterio-(4-nitrophenyl)methoxy]benzamide?
The canonical SMILES for N-[dideuterio-(4-nitrophenyl)methoxy]benzamide is [2H]C([2H])(ONC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[dideuterio-(4-nitrophenyl)methoxy]benzamide?
The InChIKey is JRZSJGVZYMTGIU-KBMKNGFXSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-14(12-4-2-1-3-5-12)15-20-10-11-6-8-13(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)/i10D2.
What are the key properties of N-[dideuterio-(4-nitrophenyl)methoxy]benzamide?
N-[dideuterio-(4-nitrophenyl)methoxy]benzamide has a molecular weight of 274.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dideuterio-(4-nitrophenyl)methoxy]benzamide is sourced from PubChem (CID 10061879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).