N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide

C19H14FNO — CID 759702

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
InChIKeyVROYHHCUXRMIQY-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.33
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide

N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide (PubChem CID 759702) has the molecular formula C19H14FNO and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide
PubChem CID759702
Molecular FormulaC19H14FNO
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
InChIKeyVROYHHCUXRMIQY-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 ≤ 500291.33
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-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide (CID 759702) is N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide is O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(F)cc1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide?
The InChIKey is VROYHHCUXRMIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide?
N-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide has a molecular weight of 291.33 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-(1,2-dihydroacenaphthylen-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 759702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).