2-nitro-N-(3-propan-2-yloxyphenyl)benzamide

C16H16N2O4 — CID 17154668

IUPAC2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-11(2)22-13-7-5-6-12(10-13)17-16(19)14-8-3-4-9-15(14)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyVIDBQCPFGPZWQY-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.63
Rot. Bonds5

About 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide

2-nitro-N-(3-propan-2-yloxyphenyl)benzamide (PubChem CID 17154668) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
PubChem CID17154668
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-11(2)22-13-7-5-6-12(10-13)17-16(19)14-8-3-4-9-15(14)18(20)21/h3-11H,1-2H3,(H,17,19)
InChIKeyVIDBQCPFGPZWQY-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

N-[3-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-nitrobenzamide
CID 19645011
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
N-[1-(3-acetamidophenoxy)-2,2,2-trichloroethyl]-2-nitrobenzamide
CID 3093435
2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142104
2-nitro-N-[(4-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17339969
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-nitrobenzamide
CID 17079846
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
ethane;2-nitro-N-(3-propylphenyl)benzamide
CID 90843010
N-[4-(2-methylpropoxy)phenyl]-2-nitrobenzamide
CID 4940473

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide (CID 17154668) is 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide is CC(C)Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide?
The InChIKey is VIDBQCPFGPZWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(2)22-13-7-5-6-12(10-13)17-16(19)14-8-3-4-9-15(14)18(20)21/h3-11H,1-2H3,(H,17,19).
What are the key properties of 2-nitro-N-(3-propan-2-yloxyphenyl)benzamide?
2-nitro-N-(3-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-(3-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17154668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).