N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide

C14H11FN2O4 — CID 103875064

IUPACN-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c(F)c1
InChIInChI=1S/C14H11FN2O4/c1-8-5-6-11(10(15)7-8)16-14(19)9-3-2-4-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyQDQBQHWDBPPFFN-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.00
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide

N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide (PubChem CID 103875064) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
PubChem CID103875064
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c(F)c1
InChIInChI=1S/C14H11FN2O4/c1-8-5-6-11(10(15)7-8)16-14(19)9-3-2-4-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19)
InChIKeyQDQBQHWDBPPFFN-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 64793485
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
2-[(4-methyl-2-nitrophenyl)carbamoyl]-3-nitrobenzoic acid
CID 4227551
N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107076664
N-(4-methyl-2-nitrophenyl)-2-methylsulfanylbenzamide
CID 8795558

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide (CID 103875064) is N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide is Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is QDQBQHWDBPPFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-8-5-6-11(10(15)7-8)16-14(19)9-3-2-4-12(13(9)18)17(20)21/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide?
N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-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-methylphenyl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 103875064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).