2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide

C20H18N2O4 — CID 163370484

IUPAC2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide
SMILESCCCc1ccc(O)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3c2)c1
InChIInChI=1S/C20H18N2O4/c1-2-3-13-4-9-19(23)18(10-13)20(24)21-16-7-5-15-12-17(22(25)26)8-6-14(15)11-16/h4-12,23H,2-3H2,1H3,(H,21,24)
InChIKeyARYXNUBQNYVKCO-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.66
Rot. Bonds5

About 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide

2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide (PubChem CID 163370484) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide
PubChem CID163370484
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide
SMILESCCCc1ccc(O)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3c2)c1
InChIInChI=1S/C20H18N2O4/c1-2-3-13-4-9-19(23)18(10-13)20(24)21-16-7-5-15-12-17(22(25)26)8-6-14(15)11-16/h4-12,23H,2-3H2,1H3,(H,21,24)
InChIKeyARYXNUBQNYVKCO-UHFFFAOYSA-N
XLogP4.66
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.66
H-Bond Donors ≤ 52
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

ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 163370448
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
3-nitro-N-(4-propylphenyl)benzamide
CID 8803025
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505
2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
CID 679720
2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
5-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 22054322
N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506
ethane;2-nitro-N-(3-propylphenyl)benzamide
CID 90843010
1-(2-hydroxy-5-nitrophenyl)butan-1-one
CID 23019315

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide?
The IUPAC name of 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide (CID 163370484) is 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide?
The canonical SMILES for 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide is CCCc1ccc(O)c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3c2)c1.
What is the InChIKey of 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide?
The InChIKey is ARYXNUBQNYVKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-3-13-4-9-19(23)18(10-13)20(24)21-16-7-5-15-12-17(22(25)26)8-6-14(15)11-16/h4-12,23H,2-3H2,1H3,(H,21,24).
What are the key properties of 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide?
2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide has a molecular weight of 350.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide is sourced from PubChem (CID 163370484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).