4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide

C15H12FNO4 — CID 141427147

IUPAC4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide
SMILESCOc1ccc(O)c(C(=O)c2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C15H12FNO4/c1-21-11-7-6-10(18)12(13(11)16)14(19)8-2-4-9(5-3-8)15(17)20/h2-7,18H,1H3,(H2,17,20)
InChIKeyCAALSZLKMSUYEQ-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.87
Rot. Bonds4

About 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide

4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide (PubChem CID 141427147) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide.

Molecular Properties

Compound Name4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide
PubChem CID141427147
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide
SMILESCOc1ccc(O)c(C(=O)c2ccc(C(N)=O)cc2)c1F
InChIInChI=1S/C15H12FNO4/c1-21-11-7-6-10(18)12(13(11)16)14(19)8-2-4-9(5-3-8)15(17)20/h2-7,18H,1H3,(H2,17,20)
InChIKeyCAALSZLKMSUYEQ-UHFFFAOYSA-N
XLogP1.87
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide
CID 142582976
4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide;N-methylpyrrolidin-3-amine;pyrimidine-4-carbaldehyde
CID 142582884
(4S)-4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]azepane-1-carboxamide
CID 173213521
N-[(2R,3R)-1-amino-3-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]hexan-2-yl]-4-hydroxy-3,5-dimethylbenzamide
CID 155664960
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
N-[(3S,4R)-4-[2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)phenyl]-2-oxoethyl]pyrrolidin-3-yl]-4-hydroxybenzamide
CID 157151961
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
[4-(pyridine-4-carbonylamino)pyrrolidin-3-yl] 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoate
CID 54563041
2,6-difluoro-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 59591431
4-(5-fluoro-2-hydroxybenzoyl)benzamide
CID 142582973
N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-3H-indazole-6-carboxamide
CID 157206764
[4-[(4-hydroxy-3,5-dimethylbenzoyl)amino]pyrrolidin-3-yl] 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoate
CID 139664741

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide?
The IUPAC name of 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide (CID 141427147) is 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide.
What is the SMILES notation for 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide?
The canonical SMILES for 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide is COc1ccc(O)c(C(=O)c2ccc(C(N)=O)cc2)c1F.
What is the InChIKey of 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide?
The InChIKey is CAALSZLKMSUYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-21-11-7-6-10(18)12(13(11)16)14(19)8-2-4-9(5-3-8)15(17)20/h2-7,18H,1H3,(H2,17,20).
What are the key properties of 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide?
4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide has a molecular weight of 289.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzamide is sourced from PubChem (CID 141427147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).