2-nitro-N-(2-propan-2-yloxyphenyl)benzamide

C16H16N2O4 — CID 17150872

IUPAC2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O4/c1-11(2)22-15-10-6-4-8-13(15)17-16(19)12-7-3-5-9-14(12)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyONQDUROJHIUUML-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.63
Rot. Bonds5

About 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide

2-nitro-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 17150872) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID17150872
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O4/c1-11(2)22-15-10-6-4-8-13(15)17-16(19)12-7-3-5-9-14(12)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyONQDUROJHIUUML-UHFFFAOYSA-N
XLogP3.63
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.63
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-propan-2-yloxyphenyl)benzamide
CID 17154668
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17134030
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
2-oxo-N-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110692726
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide (CID 17150872) is 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is ONQDUROJHIUUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(2)22-15-10-6-4-8-13(15)17-16(19)12-7-3-5-9-14(12)18(20)21/h3-11H,1-2H3,(H,17,19).
What are the key properties of 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide?
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 300.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17150872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).