5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C16H16FNO3 — CID 79882419

IUPAC5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C16H16FNO3/c1-18(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(17)7-8-14(13)19/h3-9,19H,10H2,1-2H3
InChIKeyMKFGMFBHJYWIES-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.81
Rot. Bonds4

About 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 79882419) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID79882419
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C16H16FNO3/c1-18(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(17)7-8-14(13)19/h3-9,19H,10H2,1-2H3
InChIKeyMKFGMFBHJYWIES-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 38005257
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 79882419) is 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is MKFGMFBHJYWIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-18(10-11-5-3-4-6-15(11)21-2)16(20)13-9-12(17)7-8-14(13)19/h3-9,19H,10H2,1-2H3.
What are the key properties of 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 79882419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).