N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide

C19H17FN2O3 — CID 90574329

IUPACN-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC#CCOc1ccccc1F
InChIInChI=1S/C19H17FN2O3/c20-16-10-4-5-11-17(16)25-13-7-6-12-21-18(23)14-22-19(24)15-8-2-1-3-9-15/h1-5,8-11H,12-14H2,(H,21,23)(H,22,24)
InChIKeyFBKQURFFLWPQGP-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide

N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide (PubChem CID 90574329) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
PubChem CID90574329
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCC#CCOc1ccccc1F
InChIInChI=1S/C19H17FN2O3/c20-16-10-4-5-11-17(16)25-13-7-6-12-21-18(23)14-22-19(24)15-8-2-1-3-9-15/h1-5,8-11H,12-14H2,(H,21,23)(H,22,24)
InChIKeyFBKQURFFLWPQGP-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
N-[4-(2-fluorophenoxy)but-2-ynyl]-2,2-dimethylpropanamide
CID 90574385
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
N-[4-(2-fluorophenoxy)but-2-ynyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90574502
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90577778
4-chloro-N-[4-(2-chlorophenoxy)but-2-ynyl]benzamide
CID 90574833
N-[4-(2-fluorophenoxy)but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90574343
N-[4-(2-fluorophenoxy)but-2-ynyl]-4-methylthiophene-2-carboxamide
CID 90574583
methyl 4-[4-(2-methylphenoxy)but-2-ynylcarbamoyl]benzoate
CID 90575124
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
4-bromo-N-[4-(2,4-difluorophenoxy)but-2-ynyl]benzamide
CID 90577685

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide (CID 90574329) is N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCC#CCOc1ccccc1F.
What is the InChIKey of N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide?
The InChIKey is FBKQURFFLWPQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-16-10-4-5-11-17(16)25-13-7-6-12-21-18(23)14-22-19(24)15-8-2-1-3-9-15/h1-5,8-11H,12-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide?
N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide has a molecular weight of 340.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenoxy)but-2-ynylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 90574329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).