N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide

C21H15F3N2O2 — CID 4256712

IUPACN-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1ccccc1Oc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)17-12-10-15(11-13-17)20(27)26-25-14-16-6-4-5-9-19(16)28-18-7-2-1-3-8-18/h1-14H,(H,26,27)
InChIKeyXVAXGUVLGOTIAD-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.26
Rot. Bonds5

About N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide

N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide (PubChem CID 4256712) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
PubChem CID4256712
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC NameN-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
SMILESO=C(NN=Cc1ccccc1Oc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)17-12-10-15(11-13-17)20(27)26-25-14-16-6-4-5-9-19(16)28-18-7-2-1-3-8-18/h1-14H,(H,26,27)
InChIKeyXVAXGUVLGOTIAD-UHFFFAOYSA-N
XLogP5.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.26
H-Bond Donors ≤ 51
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

[2-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 73233953
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
1-N,3-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-5-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenoxy]benzene-1,3-dicarboxamide
CID 177388501
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196
[2-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-(trifluoromethyl)benzenesulfonate
CID 73233948
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide (CID 4256712) is N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide is O=C(NN=Cc1ccccc1Oc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
The InChIKey is XVAXGUVLGOTIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)17-12-10-15(11-13-17)20(27)26-25-14-16-6-4-5-9-19(16)28-18-7-2-1-3-8-18/h1-14H,(H,26,27).
What are the key properties of N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide?
N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide has a molecular weight of 384.36 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4256712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).