[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate

C16H13F3N2O3 — CID 59533943

IUPAC[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate
SMILESCC(=O)O/N=C(\N)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O3/c1-10(22)24-21-15(20)11-2-6-13(7-3-11)23-14-8-4-12(5-9-14)16(17,18)19/h2-9H,1H3,(H2,20,21)
InChIKeyBVLKLKDSOOJJJI-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.68
Rot. Bonds4

About [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate

[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate (PubChem CID 59533943) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate
PubChem CID59533943
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate
SMILESCC(=O)O/N=C(\N)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O3/c1-10(22)24-21-15(20)11-2-6-13(7-3-11)23-14-8-4-12(5-9-14)16(17,18)19/h2-9H,1H3,(H2,20,21)
InChIKeyBVLKLKDSOOJJJI-UHFFFAOYSA-N
XLogP3.68
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
[[amino-(4-propan-2-yloxyphenyl)methylidene]amino] acetate
CID 123815247
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
[[[4-[5-[4-(N'-acetyloxycarbamimidoyl)phenoxy]pentoxy]phenyl]-aminomethylidene]amino] acetate
CID 85065630
[(Z)-[amino-(4-tert-butylphenyl)methylidene]amino] acetate;4-tert-butyl-N'-hydroxybenzenecarboximidamide;tris(4-tert-butyl-N'-methylbenzenecarboximidamide)
CID 172950573
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 159342881
N-(1-aminoethylidene)-4-(trifluoromethyl)benzamide
CID 142003582
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
1-[2,6-dimethyl-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 67387269
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate?
The IUPAC name of [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate (CID 59533943) is [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate.
What is the SMILES notation for [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate?
The canonical SMILES for [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate is CC(=O)O/N=C(\N)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate?
The InChIKey is BVLKLKDSOOJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-10(22)24-21-15(20)11-2-6-13(7-3-11)23-14-8-4-12(5-9-14)16(17,18)19/h2-9H,1H3,(H2,20,21).
What are the key properties of [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate?
[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate has a molecular weight of 338.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate is sourced from PubChem (CID 59533943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).