3-nitro-4-(2-prop-2-enylphenoxy)benzamide

C16H14N2O4 — CID 9196142

IUPAC3-nitro-4-(2-prop-2-enylphenoxy)benzamide
SMILESC=CCc1ccccc1Oc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O4/c1-2-5-11-6-3-4-7-14(11)22-15-9-8-12(16(17)19)10-13(15)18(20)21/h2-4,6-10H,1,5H2,(H2,17,19)
InChIKeyFGOOELUCGMGTQT-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.21
Rot. Bonds6

About 3-nitro-4-(2-prop-2-enylphenoxy)benzamide

3-nitro-4-(2-prop-2-enylphenoxy)benzamide (PubChem CID 9196142) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-nitro-4-(2-prop-2-enylphenoxy)benzamide.

Molecular Properties

Compound Name3-nitro-4-(2-prop-2-enylphenoxy)benzamide
PubChem CID9196142
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-nitro-4-(2-prop-2-enylphenoxy)benzamide
SMILESC=CCc1ccccc1Oc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O4/c1-2-5-11-6-3-4-7-14(11)22-15-9-8-12(16(17)19)10-13(15)18(20)21/h2-4,6-10H,1,5H2,(H2,17,19)
InChIKeyFGOOELUCGMGTQT-UHFFFAOYSA-N
XLogP3.21
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[2-(hydroxymethyl)phenoxy]-4-nitrobenzamide
CID 107713461
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
CID 9282374
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
3-nitro-4-prop-2-enylbenzoic acid
CID 118878034
4-nitro-1-(4-nitro-2-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 87648427
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
CID 73050036
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
CID 68914261
2-(4-carbamoyl-2-nitrophenyl)acetic acid
CID 4067270

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(2-prop-2-enylphenoxy)benzamide?
The IUPAC name of 3-nitro-4-(2-prop-2-enylphenoxy)benzamide (CID 9196142) is 3-nitro-4-(2-prop-2-enylphenoxy)benzamide.
What is the SMILES notation for 3-nitro-4-(2-prop-2-enylphenoxy)benzamide?
The canonical SMILES for 3-nitro-4-(2-prop-2-enylphenoxy)benzamide is C=CCc1ccccc1Oc1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-4-(2-prop-2-enylphenoxy)benzamide?
The InChIKey is FGOOELUCGMGTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-2-5-11-6-3-4-7-14(11)22-15-9-8-12(16(17)19)10-13(15)18(20)21/h2-4,6-10H,1,5H2,(H2,17,19).
What are the key properties of 3-nitro-4-(2-prop-2-enylphenoxy)benzamide?
3-nitro-4-(2-prop-2-enylphenoxy)benzamide has a molecular weight of 298.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(2-prop-2-enylphenoxy)benzamide is sourced from PubChem (CID 9196142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).