N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

C18H14N2O2 — CID 110677837

IUPACN-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)c3ccccc3C2)cc1
InChIInChI=1S/C18H14N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)14-9-13-3-1-2-4-16(13)17(21)10-14/h1-8,14H,9-10H2,(H,20,22)
InChIKeyYXAOVMJSYAYWEM-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.94
Rot. Bonds2

About N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 110677837) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
PubChem CID110677837
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)c3ccccc3C2)cc1
InChIInChI=1S/C18H14N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)14-9-13-3-1-2-4-16(13)17(21)10-14/h1-8,14H,9-10H2,(H,20,22)
InChIKeyYXAOVMJSYAYWEM-UHFFFAOYSA-N
XLogP2.94
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (CID 110677837) is N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is N#Cc1ccc(NC(=O)C2CC(=O)c3ccccc3C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is YXAOVMJSYAYWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)14-9-13-3-1-2-4-16(13)17(21)10-14/h1-8,14H,9-10H2,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 110677837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).