N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

C24H21F3N2O3 — CID 3499403

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H21F3N2O3/c1-31-22-13-19(10-11-21(22)32-16-17-6-3-2-4-7-17)15-28-29-23(30)14-18-8-5-9-20(12-18)24(25,26)27/h2-13,15H,14,16H2,1H3,(H,29,30)
InChIKeyAYRIGRGUVVFSEL-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.99
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3499403) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3499403
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H21F3N2O3/c1-31-22-13-19(10-11-21(22)32-16-17-6-3-2-4-7-17)15-28-29-23(30)14-18-8-5-9-20(12-18)24(25,26)27/h2-13,15H,14,16H2,1H3,(H,29,30)
InChIKeyAYRIGRGUVVFSEL-UHFFFAOYSA-N
XLogP4.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.99
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-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21229354
[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168534106
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21209432
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
2-[2-ethoxy-4-[(E)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 21209460
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
N-[(E)-[4-[2-[4-(1-adamantyl)anilino]-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126019401
N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 136644816

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 3499403) is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is COc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AYRIGRGUVVFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-31-22-13-19(10-11-21(22)32-16-17-6-3-2-4-7-17)15-28-29-23(30)14-18-8-5-9-20(12-18)24(25,26)27/h2-13,15H,14,16H2,1H3,(H,29,30).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 442.44 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3499403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).