N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide

C15H10FNO2 — CID 79532349

IUPACN-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C15H10FNO2/c1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18/h1,3-9,18H,(H,17,19)
InChIKeyVYGZVFPLYNVIRJ-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.76
Rot. Bonds2

About N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide

N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 79532349) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
PubChem CID79532349
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC NameN-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C15H10FNO2/c1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18/h1,3-9,18H,(H,17,19)
InChIKeyVYGZVFPLYNVIRJ-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-difluorophenyl)-N-(3-ethynylphenyl)-2-hydroxybenzamide
CID 71812059
N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
CID 33229993
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
5-amino-N-(3-ethynylphenyl)-2-fluorobenzamide
CID 61118264
N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298712
N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
CID 64955247
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide (CID 79532349) is N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide is C#Cc1cccc(NC(=O)c2cc(F)ccc2O)c1.
What is the InChIKey of N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is VYGZVFPLYNVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18/h1,3-9,18H,(H,17,19).
What are the key properties of N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide?
N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 255.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 79532349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).