2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide

C18H15FN2O — CID 2604436

IUPAC2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide
SMILESO=C(CNc1ccccc1F)Nc1cccc2ccccc12
InChIInChI=1S/C18H15FN2O/c19-15-9-3-4-10-17(15)20-12-18(22)21-16-11-5-7-13-6-1-2-8-14(13)16/h1-11,20H,12H2,(H,21,22)
InChIKeyBULHXLOMIRVXCT-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.03
Rot. Bonds4

About 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide

2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide (PubChem CID 2604436) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide
PubChem CID2604436
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide
SMILESO=C(CNc1ccccc1F)Nc1cccc2ccccc12
InChIInChI=1S/C18H15FN2O/c19-15-9-3-4-10-17(15)20-12-18(22)21-16-11-5-7-13-6-1-2-8-14(13)16/h1-11,20H,12H2,(H,21,22)
InChIKeyBULHXLOMIRVXCT-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide (CID 2604436) is 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide is O=C(CNc1ccccc1F)Nc1cccc2ccccc12.
What is the InChIKey of 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is BULHXLOMIRVXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-15-9-3-4-10-17(15)20-12-18(22)21-16-11-5-7-13-6-1-2-8-14(13)16/h1-11,20H,12H2,(H,21,22).
What are the key properties of 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide?
2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide has a molecular weight of 294.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2604436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).