[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate

C18H14Cl2F4N2O3 — CID 19292137

IUPAC[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate
SMILESN/C(=N\OC(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2F4N2O3/c19-12-4-5-13(14(20)7-12)15(25)26-29-16(27)11-3-1-2-10(6-11)8-28-9-18(23,24)17(21)22/h1-7,17H,8-9H2,(H2,25,26)
InChIKeyOJFRRDXRTJBXMT-UHFFFAOYSA-N
MW453.22 g/mol
LogP4.89
Rot. Bonds8

About [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate

[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate (PubChem CID 19292137) has the molecular formula C18H14Cl2F4N2O3 and a molecular weight of 453.22 g/mol. Its IUPAC name is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate.

Molecular Properties

Compound Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate
PubChem CID19292137
Molecular FormulaC18H14Cl2F4N2O3
Molecular Weight453.22 g/mol
Exact Mass452.03
IUPAC Name[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate
SMILESN/C(=N\OC(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2F4N2O3/c19-12-4-5-13(14(20)7-12)15(25)26-29-16(27)11-3-1-2-10(6-11)8-28-9-18(23,24)17(21)22/h1-7,17H,8-9H2,(H2,25,26)
InChIKeyOJFRRDXRTJBXMT-UHFFFAOYSA-N
XLogP4.89
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.22
LogP ≤ 54.89
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-[(4-bromophenoxy)methyl]benzoate
CID 19292124
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 3-(2,2,2-trifluoroethoxymethyl)benzoate
CID 19293958
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanone
CID 19295261
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 19293781
(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
CID 2953632
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 3-[(2,3-dichlorophenoxy)methyl]benzoate
CID 19296123
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
CID 19292090
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19284224
[[amino-(2,4-dichlorophenyl)methylidene]amino] 4-nitrobenzoate
CID 2937034
N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 4775827
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate
CID 19296291
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 4-methyl-3-nitrobenzoate
CID 19292107

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate?
The IUPAC name of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate (CID 19292137) is [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate.
What is the SMILES notation for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate?
The canonical SMILES for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate is N/C(=N\OC(=O)c1cccc(COCC(F)(F)C(F)F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate?
The InChIKey is OJFRRDXRTJBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F4N2O3/c19-12-4-5-13(14(20)7-12)15(25)26-29-16(27)11-3-1-2-10(6-11)8-28-9-18(23,24)17(21)22/h1-7,17H,8-9H2,(H2,25,26).
What are the key properties of [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate?
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate has a molecular weight of 453.22 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,2,3,3-tetrafluoropropoxymethyl)benzoate is sourced from PubChem (CID 19292137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).