3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide

C14H11FN2O4 — CID 107681232

IUPAC3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2c(O)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11FN2O4/c1-8-5-9(7-10(15)6-8)14(19)16-13-11(17(20)21)3-2-4-12(13)18/h2-7,18H,1H3,(H,16,19)
InChIKeyIPHCBSRJNPHAGB-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.00
Rot. Bonds3

About 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide

3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide (PubChem CID 107681232) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
PubChem CID107681232
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2c(O)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11FN2O4/c1-8-5-9(7-10(15)6-8)14(19)16-13-11(17(20)21)3-2-4-12(13)18/h2-7,18H,1H3,(H,16,19)
InChIKeyIPHCBSRJNPHAGB-UHFFFAOYSA-N
XLogP3.00
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
CID 107681305
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321
5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
CID 107679593
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
CID 115931324

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide (CID 107681232) is 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2c(O)cccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide?
The InChIKey is IPHCBSRJNPHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-8-5-9(7-10(15)6-8)14(19)16-13-11(17(20)21)3-2-4-12(13)18/h2-7,18H,1H3,(H,16,19).
What are the key properties of 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide?
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide has a molecular weight of 290.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide is sourced from PubChem (CID 107681232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).