N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide

C18H14ClF3N2O2 — CID 143726740

IUPACN-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide
SMILESC=N/C(=C(/NC(=O)C(F)(F)F)OCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H14ClF3N2O2/c1-23-15(13-7-3-2-4-8-13)16(24-17(25)18(20,21)22)26-11-12-6-5-9-14(19)10-12/h2-10H,1,11H2,(H,24,25)/b16-15-
InChIKeyJKFUOTPLJBZCHB-NXVVXOECSA-N
MW382.77 g/mol
LogP4.56
Rot. Bonds6

About N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide

N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide (PubChem CID 143726740) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide
PubChem CID143726740
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC NameN-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide
SMILESC=N/C(=C(/NC(=O)C(F)(F)F)OCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H14ClF3N2O2/c1-23-15(13-7-3-2-4-8-13)16(24-17(25)18(20,21)22)26-11-12-6-5-9-14(19)10-12/h2-10H,1,11H2,(H,24,25)/b16-15-
InChIKeyJKFUOTPLJBZCHB-NXVVXOECSA-N
XLogP4.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(1-benzothiophen-2-ylmethoxy)-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide
CID 143726685
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
methyl (2S)-2-[(3-chlorophenyl)methoxycarbonylamino]sulfanyl-3-phenylpropanoate
CID 156884492
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932591
3-[(3-chlorophenyl)methoxycarbonylamino]-3-sulfanylpropanoic acid
CID 156884507
2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91482736
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
CID 65126577

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide (CID 143726740) is N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide is C=N/C(=C(/NC(=O)C(F)(F)F)OCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide?
The InChIKey is JKFUOTPLJBZCHB-NXVVXOECSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c1-23-15(13-7-3-2-4-8-13)16(24-17(25)18(20,21)22)26-11-12-6-5-9-14(19)10-12/h2-10H,1,11H2,(H,24,25)/b16-15-.
What are the key properties of N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide?
N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide has a molecular weight of 382.77 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(3-chlorophenyl)methoxy]-2-(methylideneamino)-2-phenylethenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 143726740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).