4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate

C17H12F3N2O3- — CID 7256534

IUPAC4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)14-3-1-2-12(8-14)9-15(23)22-21-10-11-4-6-13(7-5-11)16(24)25/h1-8,10H,9H2,(H,22,23)(H,24,25)/p-1/b21-10-
InChIKeyYZEYCNXSBJDXRG-FBHDLOMBSA-M
MW349.29 g/mol
LogP1.76
Rot. Bonds5

About 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate

4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 7256534) has the molecular formula C17H12F3N2O3- and a molecular weight of 349.29 g/mol. Its IUPAC name is 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate
PubChem CID7256534
Molecular FormulaC17H12F3N2O3-
Molecular Weight349.29 g/mol
Exact Mass349.08
IUPAC Name4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)14-3-1-2-12(8-14)9-15(23)22-21-10-11-4-6-13(7-5-11)16(24)25/h1-8,10H,9H2,(H,22,23)(H,24,25)/p-1/b21-10-
InChIKeyYZEYCNXSBJDXRG-FBHDLOMBSA-M
XLogP1.76
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 51.76
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'}

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Related Compounds

N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 6269141
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3499403
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21229354
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015984
2-[2-ethoxy-4-[(E)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 21209460
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21209432
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 135592720
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126015638
N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 136644816
N'-[(4-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 1101273
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate (CID 7256534) is 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate is O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is YZEYCNXSBJDXRG-FBHDLOMBSA-M. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)14-3-1-2-12(8-14)9-15(23)22-21-10-11-4-6-13(7-5-11)16(24)25/h1-8,10H,9H2,(H,22,23)(H,24,25)/p-1/b21-10-.
What are the key properties of 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate?
4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 349.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 7256534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).