N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide

C14H11FN2O4 — CID 64793485

IUPACN-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c1-8-3-2-4-10(13(8)17(20)21)14(19)16-12-6-5-9(18)7-11(12)15/h2-7,18H,1H3,(H,16,19)
InChIKeyPBQHBSWLPSGKLJ-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.00
Rot. Bonds3

About N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide

N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide (PubChem CID 64793485) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
PubChem CID64793485
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C14H11FN2O4/c1-8-3-2-4-10(13(8)17(20)21)14(19)16-12-6-5-9(18)7-11(12)15/h2-7,18H,1H3,(H,16,19)
InChIKeyPBQHBSWLPSGKLJ-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': 'hydroquinone', '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

N-(2-bromo-4-methylphenyl)-3-methyl-2-nitrobenzamide
CID 7929827
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
CID 5070149
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
CID 103875064
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
N-(4-bromo-3-fluorophenyl)-3-methyl-2-nitrobenzamide
CID 65430673
N-(2-carbamoyl-3-methylphenyl)-3-methyl-2-nitrobenzamide
CID 87006002
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide (CID 64793485) is N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)Nc2ccc(O)cc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
The InChIKey is PBQHBSWLPSGKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-8-3-2-4-10(13(8)17(20)21)14(19)16-12-6-5-9(18)7-11(12)15/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide 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 N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 64793485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).