N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide

C17H15FN2O2 — CID 167862348

IUPACN-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide
SMILESC=C(F)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15FN2O2/c1-12(18)16(21)20-15-10-6-5-9-14(15)17(22)19-11-13-7-3-2-4-8-13/h2-10H,1,11H2,(H,19,22)(H,20,21)
InChIKeySVGZONOCNLXJLN-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.04
Rot. Bonds5

About N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide

N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide (PubChem CID 167862348) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide
PubChem CID167862348
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide
SMILESC=C(F)C(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15FN2O2/c1-12(18)16(21)20-15-10-6-5-9-14(15)17(22)19-11-13-7-3-2-4-8-13/h2-10H,1,11H2,(H,19,22)(H,20,21)
InChIKeySVGZONOCNLXJLN-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide?
The IUPAC name of N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide (CID 167862348) is N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide.
What is the SMILES notation for N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide?
The canonical SMILES for N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide is C=C(F)C(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide?
The InChIKey is SVGZONOCNLXJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12(18)16(21)20-15-10-6-5-9-14(15)17(22)19-11-13-7-3-2-4-8-13/h2-10H,1,11H2,(H,19,22)(H,20,21).
What are the key properties of N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide?
N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide has a molecular weight of 298.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide is sourced from PubChem (CID 167862348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).