N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide

C14H13FN2O3 — CID 24692855

IUPACN-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(F)c(N)c2)c1O
InChIInChI=1S/C14H13FN2O3/c1-20-12-4-2-3-9(13(12)18)14(19)17-8-5-6-10(15)11(16)7-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyVBESLDHYGLXLNA-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.37
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide

N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 24692855) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide
PubChem CID24692855
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC NameN-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(F)c(N)c2)c1O
InChIInChI=1S/C14H13FN2O3/c1-20-12-4-2-3-9(13(12)18)14(19)17-8-5-6-10(15)11(16)7-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyVBESLDHYGLXLNA-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'}

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Related Compounds

N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide
CID 43550234
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075540
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 103874422

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide (CID 24692855) is N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(F)c(N)c2)c1O.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is VBESLDHYGLXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-12-4-2-3-9(13(12)18)14(19)17-8-5-6-10(15)11(16)7-8/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide?
N-(3-amino-4-fluorophenyl)-2-hydroxy-3-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-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 24692855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).