N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide

C15H12FN3O3 — CID 137338527

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cc(O)ccc1F
InChIInChI=1S/C15H12FN3O3/c1-19(15(21)11-7-10(20)3-4-12(11)16)8-9-2-5-13-14(6-9)18-22-17-13/h2-7,20H,8H2,1H3
InChIKeyQZVDCZZUUMRKAM-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.34
Rot. Bonds3

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide (PubChem CID 137338527) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide
PubChem CID137338527
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cc(O)ccc1F
InChIInChI=1S/C15H12FN3O3/c1-19(15(21)11-7-10(20)3-4-12(11)16)8-9-2-5-13-14(6-9)18-22-17-13/h2-7,20H,8H2,1H3
InChIKeyQZVDCZZUUMRKAM-UHFFFAOYSA-N
XLogP2.34
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[(E)-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)methyleneamino]benzamide
CID 137314821
N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-fluoro-4-hydroxy-N-methylbenzamide
CID 132421546
N-[2-(4-hydroxyphenyl)ethyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 89835623
5-{[4-(3-Methoxybenzoyl)-1-piperazinyl]methyl}-2,1,3-benzoxadiazole
CID 56889828
4-{[4-(3-Methoxybenzoyl)-1-piperazinyl]methyl}-2,1,3-benzoxadiazole
CID 56892331
5-{[4-(3-Methoxybenzoyl)-1-piperazinyl]carbonyl}-2,1,3-benzoxadiazole
CID 70769034
N-(2,1,3-benzothiadiazol-5-ylmethyl)-4'-hydroxy-N-methylbiphenyl-4-carboxamide
CID 132416592
N-[(3-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 154860068

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide (CID 137338527) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide is CN(Cc1ccc2nonc2c1)C(=O)c1cc(O)ccc1F.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide?
The InChIKey is QZVDCZZUUMRKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-19(15(21)11-7-10(20)3-4-12(11)16)8-9-2-5-13-14(6-9)18-22-17-13/h2-7,20H,8H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide has a molecular weight of 301.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-fluoro-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 137338527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).