N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide

C19H18ClF3N2O2 — CID 15713711

IUPACN-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide
SMILESCCC(O/N=C/c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClF3N2O2/c1-2-17(18(26)24-12-14-7-3-4-9-16(14)20)27-25-11-13-6-5-8-15(10-13)19(21,22)23/h3-11,17H,2,12H2,1H3,(H,24,26)/b25-11+
InChIKeyUMYOIOGZHPBYKC-OPEKNORGSA-N
MW398.81 g/mol
LogP4.80
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide

N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide (PubChem CID 15713711) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide
PubChem CID15713711
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide
SMILESCCC(O/N=C/c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClF3N2O2/c1-2-17(18(26)24-12-14-7-3-4-9-16(14)20)27-25-11-13-6-5-8-15(10-13)19(21,22)23/h3-11,17H,2,12H2,1H3,(H,24,26)/b25-11+
InChIKeyUMYOIOGZHPBYKC-OPEKNORGSA-N
XLogP4.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100536953
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110524357
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
N-[(2-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 70499747
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
CID 24511825
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
methyl 2-[[3-(trifluoromethyl)phenyl]methylideneamino]acetate
CID 101464483
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 4810781

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide (CID 15713711) is N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide is CCC(O/N=C/c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide?
The InChIKey is UMYOIOGZHPBYKC-OPEKNORGSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-2-17(18(26)24-12-14-7-3-4-9-16(14)20)27-25-11-13-6-5-8-15(10-13)19(21,22)23/h3-11,17H,2,12H2,1H3,(H,24,26)/b25-11+.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide?
N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide has a molecular weight of 398.81 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]oxybutanamide is sourced from PubChem (CID 15713711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).