N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide

C18H11F3N2O — CID 6736199

IUPACN-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc(F)c(F)cc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H11F3N2O/c19-15-9-17(21)16(20)8-14(15)10-22-23-18(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,23,24)
InChIKeyJBEOUADGQOSKCM-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.02
Rot. Bonds3

About N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide

N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6736199) has the molecular formula C18H11F3N2O and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID6736199
Molecular FormulaC18H11F3N2O
Molecular Weight328.29 g/mol
Exact Mass328.08
IUPAC NameN-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc(F)c(F)cc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H11F3N2O/c19-15-9-17(21)16(20)8-14(15)10-22-23-18(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,23,24)
InChIKeyJBEOUADGQOSKCM-UHFFFAOYSA-N
XLogP4.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
N-[(Z)-(2-fluorophenyl)methylideneamino]quinoline-6-carboxamide
CID 155530884
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide
CID 6736191
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide (CID 6736199) is N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide is O=C(NN=Cc1cc(F)c(F)cc1F)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is JBEOUADGQOSKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O/c19-15-9-17(21)16(20)8-14(15)10-22-23-18(24)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,23,24).
What are the key properties of N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide?
N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6736199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).