N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide

C15H14FNO3 — CID 103891567

IUPACN-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H14FNO3/c1-17(9-10-3-2-4-12(16)5-10)15(20)11-6-13(18)8-14(19)7-11/h2-8,18-19H,9H2,1H3
InChIKeyQLPGENYMEHCKMO-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.51
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide

N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide (PubChem CID 103891567) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
PubChem CID103891567
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC NameN-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H14FNO3/c1-17(9-10-3-2-4-12(16)5-10)15(20)11-6-13(18)8-14(19)7-11/h2-8,18-19H,9H2,1H3
InChIKeyQLPGENYMEHCKMO-UHFFFAOYSA-N
XLogP2.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide (CID 103891567) is N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide is CN(Cc1cccc(F)c1)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide?
The InChIKey is QLPGENYMEHCKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-17(9-10-3-2-4-12(16)5-10)15(20)11-6-13(18)8-14(19)7-11/h2-8,18-19H,9H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide?
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide has a molecular weight of 275.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 103891567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).