N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide

C17H14F4N2O3 — CID 137475344

IUPACN-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide
SMILESCOC/C(=N\NC=O)c1ccc(-c2ccc(F)cc2)c(OC(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c1-25-9-15(23-22-10-24)12-4-7-14(11-2-5-13(18)6-3-11)16(8-12)26-17(19,20)21/h2-8,10H,9H2,1H3,(H,22,24)/b23-15+
InChIKeyQHBZWBUDAUPDOH-HZHRSRAPSA-N
MW370.30 g/mol
LogP3.49
Rot. Bonds7

About N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide

N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide (PubChem CID 137475344) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide.

Molecular Properties

Compound NameN-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide
PubChem CID137475344
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC NameN-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide
SMILESCOC/C(=N\NC=O)c1ccc(-c2ccc(F)cc2)c(OC(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c1-25-9-15(23-22-10-24)12-4-7-14(11-2-5-13(18)6-3-11)16(8-12)26-17(19,20)21/h2-8,10H,9H2,1H3,(H,22,24)/b23-15+
InChIKeyQHBZWBUDAUPDOH-HZHRSRAPSA-N
XLogP3.49
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide
CID 137475158
methyl 3-[2-(dimethylamino)ethoxy]-4-(4-fluorophenyl)benzoate
CID 69037624
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
CID 172649770
2-chloro-4-fluoro-1-[3-methyl-4-(trifluoromethoxy)phenyl]benzene
CID 58902883
2-tert-butyl-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethylidene]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162543211
methyl 4-ethyl-3-(trifluoromethoxy)benzoate
CID 59382476
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
N-[4-phenyl-3-(trifluoromethoxy)phenyl]pentanamide
CID 175446008
4-(4-ethoxyphenyl)-3-(trifluoromethoxy)benzonitrile
CID 172648710
methyl 4-(difluoromethoxy)-3-(trifluoromethoxy)benzoate
CID 170997887

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
The IUPAC name of N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide (CID 137475344) is N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide.
What is the SMILES notation for N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
The canonical SMILES for N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide is COC/C(=N\NC=O)c1ccc(-c2ccc(F)cc2)c(OC(F)(F)F)c1.
What is the InChIKey of N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
The InChIKey is QHBZWBUDAUPDOH-HZHRSRAPSA-N. The full InChI is InChI=1S/C17H14F4N2O3/c1-25-9-15(23-22-10-24)12-4-7-14(11-2-5-13(18)6-3-11)16(8-12)26-17(19,20)21/h2-8,10H,9H2,1H3,(H,22,24)/b23-15+.
What are the key properties of N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide?
N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide has a molecular weight of 370.30 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[4-(4-fluorophenyl)-3-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide is sourced from PubChem (CID 137475344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).