N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C15H10F3IN2O — CID 21211160

IUPACN-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1ccc(I)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3IN2O/c16-15(17,18)12-3-1-2-11(8-12)14(22)21-20-9-10-4-6-13(19)7-5-10/h1-9H,(H,21,22)/b20-9+
InChIKeyZWKRAZUTUQIQTI-AWQFTUOYSA-N
MW418.16 g/mol
LogP4.07
Rot. Bonds3

About N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 21211160) has the molecular formula C15H10F3IN2O and a molecular weight of 418.16 g/mol. Its IUPAC name is N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID21211160
Molecular FormulaC15H10F3IN2O
Molecular Weight418.16 g/mol
Exact Mass417.98
IUPAC NameN-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1ccc(I)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3IN2O/c16-15(17,18)12-3-1-2-11(8-12)14(22)21-20-9-10-4-6-13(19)7-5-10/h1-9H,(H,21,22)/b20-9+
InChIKeyZWKRAZUTUQIQTI-AWQFTUOYSA-N
XLogP4.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 98080899
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 6887548
N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620
N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499236
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 135546449
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4311594
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 5131148
4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 5134541

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 21211160) is N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide is O=C(N/N=C/c1ccc(I)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is ZWKRAZUTUQIQTI-AWQFTUOYSA-N. The full InChI is InChI=1S/C15H10F3IN2O/c16-15(17,18)12-3-1-2-11(8-12)14(22)21-20-9-10-4-6-13(19)7-5-10/h1-9H,(H,21,22)/b20-9+.
What are the key properties of N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 418.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 21211160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).