N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

C18H16F5N3O2 — CID 6162109

IUPACN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESC/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F5N3O2/c1-11(12-5-7-15(8-6-12)28-17(19)20)25-26-16(27)10-24-14-4-2-3-13(9-14)18(21,22)23/h2-9,17,24H,10H2,1H3,(H,26,27)/b25-11-
InChIKeyVQKWGBOOYQJUFV-GATIEOLUSA-N
MW401.34 g/mol
LogP4.26
Rot. Bonds7

About N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 6162109) has the molecular formula C18H16F5N3O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID6162109
Molecular FormulaC18H16F5N3O2
Molecular Weight401.34 g/mol
Exact Mass401.12
IUPAC NameN-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESC/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F5N3O2/c1-11(12-5-7-15(8-6-12)28-17(19)20)25-26-16(27)10-24-14-4-2-3-13(9-14)18(21,22)23/h2-9,17,24H,10H2,1H3,(H,26,27)/b25-11-
InChIKeyVQKWGBOOYQJUFV-GATIEOLUSA-N
XLogP4.26
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.26
H-Bond Donors ≤ 52
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)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135745499
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6113890
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538640
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135659384
2-(3-butoxyanilino)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
CID 89355003
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 6162109) is N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is C/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is VQKWGBOOYQJUFV-GATIEOLUSA-N. The full InChI is InChI=1S/C18H16F5N3O2/c1-11(12-5-7-15(8-6-12)28-17(19)20)25-26-16(27)10-24-14-4-2-3-13(9-14)18(21,22)23/h2-9,17,24H,10H2,1H3,(H,26,27)/b25-11-.
What are the key properties of N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 401.34 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 6162109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).