N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide

C18H12ClFN2O2 — CID 6019936

IUPACN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C\c1c(F)cccc1Cl)c1ccc2ccccc2c1O
InChIInChI=1S/C18H12ClFN2O2/c19-15-6-3-7-16(20)14(15)10-21-22-18(24)13-9-8-11-4-1-2-5-12(11)17(13)23/h1-10,23H,(H,22,24)/b21-10-
InChIKeyBOUYLCKIHZKZML-FBHDLOMBSA-N
MW342.76 g/mol
LogP4.10
Rot. Bonds3

About N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 6019936) has the molecular formula C18H12ClFN2O2 and a molecular weight of 342.76 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
PubChem CID6019936
Molecular FormulaC18H12ClFN2O2
Molecular Weight342.76 g/mol
Exact Mass342.06
IUPAC NameN-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(N/N=C\c1c(F)cccc1Cl)c1ccc2ccccc2c1O
InChIInChI=1S/C18H12ClFN2O2/c19-15-6-3-7-16(20)14(15)10-21-22-18(24)13-9-8-11-4-1-2-5-12(11)17(13)23/h1-10,23H,(H,22,24)/b21-10-
InChIKeyBOUYLCKIHZKZML-FBHDLOMBSA-N
XLogP4.10
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6260271
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019016
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6045668
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657919
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 1484920
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3961948

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide (CID 6019936) is N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide is O=C(N/N=C\c1c(F)cccc1Cl)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is BOUYLCKIHZKZML-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H12ClFN2O2/c19-15-6-3-7-16(20)14(15)10-21-22-18(24)13-9-8-11-4-1-2-5-12(11)17(13)23/h1-10,23H,(H,22,24)/b21-10-.
What are the key properties of N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 6019936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).