N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide

C17H14F4N2O3 — CID 6874644

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c1-25-14-8-3-2-5-12(14)10-22-23-15(24)11-6-4-7-13(9-11)26-17(20,21)16(18)19/h2-10,16H,1H3,(H,23,24)/b22-10+
InChIKeyHOUBMUOMZNQPGW-LSHDLFTRSA-N
MW370.30 g/mol
LogP3.70
Rot. Bonds7

About N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 6874644) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID6874644
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c1-25-14-8-3-2-5-12(14)10-22-23-15(24)11-6-4-7-13(9-11)26-17(20,21)16(18)19/h2-10,16H,1H3,(H,23,24)/b22-10+
InChIKeyHOUBMUOMZNQPGW-LSHDLFTRSA-N
XLogP3.70
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 126273932
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126267926
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 9231738
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 6874644) is N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide is COc1ccccc1/C=N/NC(=O)c1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is HOUBMUOMZNQPGW-LSHDLFTRSA-N. The full InChI is InChI=1S/C17H14F4N2O3/c1-25-14-8-3-2-5-12(14)10-22-23-15(24)11-6-4-7-13(9-11)26-17(20,21)16(18)19/h2-10,16H,1H3,(H,23,24)/b22-10+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 370.30 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 6874644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).