N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

C14H14FNO2 — CID 82159498

IUPACN-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C1CC(C(=O)NC2CC2)Cc2c(F)cccc21
InChIInChI=1S/C14H14FNO2/c15-12-3-1-2-10-11(12)6-8(7-13(10)17)14(18)16-9-4-5-9/h1-3,8-9H,4-7H2,(H,16,18)
InChIKeyVGTVTLQADVORFW-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.85
Rot. Bonds2

About N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 82159498) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
PubChem CID82159498
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C1CC(C(=O)NC2CC2)Cc2c(F)cccc21
InChIInChI=1S/C14H14FNO2/c15-12-3-1-2-10-11(12)6-8(7-13(10)17)14(18)16-9-4-5-9/h1-3,8-9H,4-7H2,(H,16,18)
InChIKeyVGTVTLQADVORFW-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (CID 82159498) is N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is O=C1CC(C(=O)NC2CC2)Cc2c(F)cccc21.
What is the InChIKey of N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is VGTVTLQADVORFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-12-3-1-2-10-11(12)6-8(7-13(10)17)14(18)16-9-4-5-9/h1-3,8-9H,4-7H2,(H,16,18).
What are the key properties of N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-fluoro-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 82159498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).