N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide

C18H12N4O2 — CID 1070609

IUPACN-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide
SMILESO=C(NN=Cc1cccc2nonc12)c1cccc2ccccc12
InChIInChI=1S/C18H12N4O2/c23-18(15-9-3-6-12-5-1-2-8-14(12)15)20-19-11-13-7-4-10-16-17(13)22-24-21-16/h1-11H,(H,20,23)
InChIKeyCBRIZPFHSLQGSH-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.14
Rot. Bonds3

About N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide

N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide (PubChem CID 1070609) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide
PubChem CID1070609
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC NameN-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide
SMILESO=C(NN=Cc1cccc2nonc12)c1cccc2ccccc12
InChIInChI=1S/C18H12N4O2/c23-18(15-9-3-6-12-5-1-2-8-14(12)15)20-19-11-13-7-4-10-16-17(13)22-24-21-16/h1-11H,(H,20,23)
InChIKeyCBRIZPFHSLQGSH-UHFFFAOYSA-N
XLogP3.14
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 6873692
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide (CID 1070609) is N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide is O=C(NN=Cc1cccc2nonc12)c1cccc2ccccc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide?
The InChIKey is CBRIZPFHSLQGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-18(15-9-3-6-12-5-1-2-8-14(12)15)20-19-11-13-7-4-10-16-17(13)22-24-21-16/h1-11H,(H,20,23).
What are the key properties of N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide?
N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide is sourced from PubChem (CID 1070609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).