N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide

C19H14F2N2O3 — CID 9078032

IUPACN-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1c(OC(F)F)ccc2ccccc12)c1ccccc1O
InChIInChI=1S/C19H14F2N2O3/c20-19(21)26-17-10-9-12-5-1-2-6-13(12)15(17)11-22-23-18(25)14-7-3-4-8-16(14)24/h1-11,19,24H,(H,23,25)/b22-11-
InChIKeyYYZLUCSJNKDMAH-JJFYIABZSA-N
MW356.33 g/mol
LogP3.91
Rot. Bonds5

About N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide

N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 9078032) has the molecular formula C19H14F2N2O3 and a molecular weight of 356.33 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID9078032
Molecular FormulaC19H14F2N2O3
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC NameN-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C\c1c(OC(F)F)ccc2ccccc12)c1ccccc1O
InChIInChI=1S/C19H14F2N2O3/c20-19(21)26-17-10-9-12-5-1-2-6-13(12)15(17)11-22-23-18(25)14-7-3-4-8-16(14)24/h1-11,19,24H,(H,23,25)/b22-11-
InChIKeyYYZLUCSJNKDMAH-JJFYIABZSA-N
XLogP3.91
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464743
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 46500871
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 9077721
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397757
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide (CID 9078032) is N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide is O=C(N/N=C\c1c(OC(F)F)ccc2ccccc12)c1ccccc1O.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is YYZLUCSJNKDMAH-JJFYIABZSA-N. The full InChI is InChI=1S/C19H14F2N2O3/c20-19(21)26-17-10-9-12-5-1-2-6-13(12)15(17)11-22-23-18(25)14-7-3-4-8-16(14)24/h1-11,19,24H,(H,23,25)/b22-11-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide?
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 356.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 9078032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).