N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide

C19H14FNO — CID 1301177

IUPACN-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H14FNO/c20-16-6-1-2-7-17(16)21-19(22)15-11-10-13-9-8-12-4-3-5-14(15)18(12)13/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyLPOSSVCDLBKTMY-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.33
Rot. Bonds2

About N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 1301177) has the molecular formula C19H14FNO and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID1301177
Molecular FormulaC19H14FNO
Molecular Weight291.32 g/mol
Exact Mass291.11
IUPAC NameN-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H14FNO/c20-16-6-1-2-7-17(16)21-19(22)15-11-10-13-9-8-12-4-3-5-14(15)18(12)13/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyLPOSSVCDLBKTMY-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 1301177) is N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide is O=C(Nc1ccccc1F)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is LPOSSVCDLBKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO/c20-16-6-1-2-7-17(16)21-19(22)15-11-10-13-9-8-12-4-3-5-14(15)18(12)13/h1-7,10-11H,8-9H2,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 1301177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).