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

C16H12FNO2 — CID 33229993

IUPACN-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H12FNO2/c1-3-11-5-4-6-13(9-11)18-16(19)14-10-12(17)7-8-15(14)20-2/h1,4-10H,2H3,(H,18,19)
InChIKeyCKQUWPJRQHBPTF-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.07
Rot. Bonds3

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

N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide (PubChem CID 33229993) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
PubChem CID33229993
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC NameN-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H12FNO2/c1-3-11-5-4-6-13(9-11)18-16(19)14-10-12(17)7-8-15(14)20-2/h1,4-10H,2H3,(H,18,19)
InChIKeyCKQUWPJRQHBPTF-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532349
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
CID 64955247
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
5-(2,4-difluorophenyl)-N-(3-ethynylphenyl)-2-hydroxybenzamide
CID 71812059
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880
5-fluoro-2-methoxy-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 136578547

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide (CID 33229993) is N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide is C#Cc1cccc(NC(=O)c2cc(F)ccc2OC)c1.
What is the InChIKey of N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide?
The InChIKey is CKQUWPJRQHBPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-3-11-5-4-6-13(9-11)18-16(19)14-10-12(17)7-8-15(14)20-2/h1,4-10H,2H3,(H,18,19).
What are the key properties of N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide?
N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide has a molecular weight of 269.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 33229993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).