N,N-dimethyl-2-(4-nitrophenoxy)benzamide

C15H14N2O4 — CID 70538094

IUPACN,N-dimethyl-2-(4-nitrophenoxy)benzamide
SMILESCN(C)C(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-16(2)15(18)13-5-3-4-6-14(13)21-12-9-7-11(8-10-12)17(19)20/h3-10H,1-2H3
InChIKeyROSJOORWWAWZPD-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.09
Rot. Bonds4

About N,N-dimethyl-2-(4-nitrophenoxy)benzamide

N,N-dimethyl-2-(4-nitrophenoxy)benzamide (PubChem CID 70538094) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-nitrophenoxy)benzamide
PubChem CID70538094
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN,N-dimethyl-2-(4-nitrophenoxy)benzamide
SMILESCN(C)C(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-16(2)15(18)13-5-3-4-6-14(13)21-12-9-7-11(8-10-12)17(19)20/h3-10H,1-2H3
InChIKeyROSJOORWWAWZPD-UHFFFAOYSA-N
XLogP3.09
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
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

1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
2-(4-nitrophenoxy)benzoic acid
CID 139059188
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide
CID 70867966
N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide
CID 70868013
[2-(4-nitrophenoxy)phenyl]phosphonic acid
CID 170987908
5-fluoro-2-(4-nitrophenoxy)benzoic acid
CID 61032286
1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
CID 24763777
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
N-methyl-2-nitro-N-(2-phenoxyphenyl)benzamide
CID 60606388
1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanone
CID 60678624
5-nitro-2-phenoxybenzoyl chloride
CID 21406549

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-nitrophenoxy)benzamide?
The IUPAC name of N,N-dimethyl-2-(4-nitrophenoxy)benzamide (CID 70538094) is N,N-dimethyl-2-(4-nitrophenoxy)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(4-nitrophenoxy)benzamide?
The canonical SMILES for N,N-dimethyl-2-(4-nitrophenoxy)benzamide is CN(C)C(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N-dimethyl-2-(4-nitrophenoxy)benzamide?
The InChIKey is ROSJOORWWAWZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-16(2)15(18)13-5-3-4-6-14(13)21-12-9-7-11(8-10-12)17(19)20/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-nitrophenoxy)benzamide?
N,N-dimethyl-2-(4-nitrophenoxy)benzamide has a molecular weight of 286.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 70538094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).