N-(benzylcarbamoyl)-2-fluorobenzamide

C15H13FN2O2 — CID 871614

IUPACN-(benzylcarbamoyl)-2-fluorobenzamide
SMILESO=C(NCc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C15H13FN2O2/c16-13-9-5-4-8-12(13)14(19)18-15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19,20)
InChIKeyLARURAVWLOQQAB-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.47
Rot. Bonds3

About N-(benzylcarbamoyl)-2-fluorobenzamide

N-(benzylcarbamoyl)-2-fluorobenzamide (PubChem CID 871614) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-fluorobenzamide
PubChem CID871614
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC NameN-(benzylcarbamoyl)-2-fluorobenzamide
SMILESO=C(NCc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C15H13FN2O2/c16-13-9-5-4-8-12(13)14(19)18-15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19,20)
InChIKeyLARURAVWLOQQAB-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-fluorobenzamide?
The IUPAC name of N-(benzylcarbamoyl)-2-fluorobenzamide (CID 871614) is N-(benzylcarbamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-fluorobenzamide is O=C(NCc1ccccc1)NC(=O)c1ccccc1F.
What is the InChIKey of N-(benzylcarbamoyl)-2-fluorobenzamide?
The InChIKey is LARURAVWLOQQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-13-9-5-4-8-12(13)14(19)18-15(20)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18,19,20).
What are the key properties of N-(benzylcarbamoyl)-2-fluorobenzamide?
N-(benzylcarbamoyl)-2-fluorobenzamide has a molecular weight of 272.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-fluorobenzamide is sourced from PubChem (CID 871614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).