N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide

C15H14FNO2 — CID 28889361

IUPACN-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cccc(F)c2)c1O
InChIInChI=1S/C15H14FNO2/c1-10-4-2-7-13(14(10)18)15(19)17-9-11-5-3-6-12(16)8-11/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyQBCVQEONNAVMRV-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.77
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide

N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide (PubChem CID 28889361) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
PubChem CID28889361
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC NameN-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cccc(F)c2)c1O
InChIInChI=1S/C15H14FNO2/c1-10-4-2-7-13(14(10)18)15(19)17-9-11-5-3-6-12(16)8-11/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyQBCVQEONNAVMRV-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
N-[(3-fluorophenyl)methyl]-2-propan-2-ylsulfanylbenzamide
CID 53285873
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydroxybenzamide
CID 114344540
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide (CID 28889361) is N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCc2cccc(F)c2)c1O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is QBCVQEONNAVMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-4-2-7-13(14(10)18)15(19)17-9-11-5-3-6-12(16)8-11/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide?
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 28889361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).