N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide

C14H13FN2O3 — CID 107697209

IUPACN-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)cc2N)c(F)c1
InChIInChI=1S/C14H13FN2O3/c1-20-9-3-4-10(11(15)7-9)14(19)17-13-5-2-8(18)6-12(13)16/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyQSYQHAXXPGIJLR-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.37
Rot. Bonds3

About N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide

N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide (PubChem CID 107697209) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
PubChem CID107697209
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)cc2N)c(F)c1
InChIInChI=1S/C14H13FN2O3/c1-20-9-3-4-10(11(15)7-9)14(19)17-13-5-2-8(18)6-12(13)16/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyQSYQHAXXPGIJLR-UHFFFAOYSA-N
XLogP2.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 102881866
N-(2-amino-4-methylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43259027
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044
2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 103737180
N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107697532
N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
CID 107729175
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide (CID 107697209) is N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(O)cc2N)c(F)c1.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is QSYQHAXXPGIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-9-3-4-10(11(15)7-9)14(19)17-13-5-2-8(18)6-12(13)16/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide?
N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 276.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 107697209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).