N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide

C14H12FNO3 — CID 103956579

IUPACN-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3/c1-16(11-5-3-10(15)4-6-11)14(19)9-2-7-12(17)13(18)8-9/h2-8,17-18H,1H3
InChIKeyNEUMNSTVPPGXNO-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.51
Rot. Bonds2

About N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide

N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide (PubChem CID 103956579) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
PubChem CID103956579
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC NameN-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3/c1-16(11-5-3-10(15)4-6-11)14(19)9-2-7-12(17)13(18)8-9/h2-8,17-18H,1H3
InChIKeyNEUMNSTVPPGXNO-UHFFFAOYSA-N
XLogP2.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61061331
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 126795374

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide (CID 103956579) is N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide is CN(C(=O)c1ccc(O)c(O)c1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide?
The InChIKey is NEUMNSTVPPGXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-16(11-5-3-10(15)4-6-11)14(19)9-2-7-12(17)13(18)8-9/h2-8,17-18H,1H3.
What are the key properties of N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide?
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide has a molecular weight of 261.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 103956579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).