4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide

C14H13FN2O3 — CID 63188030

IUPAC4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1O
InChIInChI=1S/C14H13FN2O3/c1-20-13-5-3-9(7-12(13)18)17-14(19)8-2-4-11(16)10(15)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyNWKGTNWFMXOVMJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.37
Rot. Bonds3

About 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide

4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide (PubChem CID 63188030) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
PubChem CID63188030
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1O
InChIInChI=1S/C14H13FN2O3/c1-20-13-5-3-9(7-12(13)18)17-14(19)8-2-4-11(16)10(15)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyNWKGTNWFMXOVMJ-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

4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051
4-amino-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 43710822
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide (CID 63188030) is 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1O.
What is the InChIKey of 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
The InChIKey is NWKGTNWFMXOVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-13-5-3-9(7-12(13)18)17-14(19)8-2-4-11(16)10(15)6-8/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide?
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide 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 4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide is sourced from PubChem (CID 63188030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).