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

C17H17FN2O2 — CID 137475158

IUPACN-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide
SMILESCOC/C(=N\NC=O)c1ccc(-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FN2O2/c1-12-9-14(17(10-22-2)20-19-11-21)5-8-16(12)13-3-6-15(18)7-4-13/h3-9,11H,10H2,1-2H3,(H,19,21)/b20-17+
InChIKeyVKRVFFSPSVONLM-LVZFUZTISA-N
MW300.33 g/mol
LogP2.90
Rot. Bonds6

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

N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide (PubChem CID 137475158) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide.

Molecular Properties

Compound NameN-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide
PubChem CID137475158
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide
SMILESCOC/C(=N\NC=O)c1ccc(-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H17FN2O2/c1-12-9-14(17(10-22-2)20-19-11-21)5-8-16(12)13-3-6-15(18)7-4-13/h3-9,11H,10H2,1-2H3,(H,19,21)/b20-17+
InChIKeyVKRVFFSPSVONLM-LVZFUZTISA-N
XLogP2.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(trifluoromethoxy)phenyl]-2-methoxyethylidene]amino]formamide
CID 137475344
2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide
CID 144811331
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
CID 155259476
1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
CID 141321542
methyl 3-methyl-4-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]benzoate;hydrochloride
CID 154903879
4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide?
The IUPAC name of N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide (CID 137475158) is N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide.
What is the SMILES notation for N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide?
The canonical SMILES for N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide is COC/C(=N\NC=O)c1ccc(-c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide?
The InChIKey is VKRVFFSPSVONLM-LVZFUZTISA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-9-14(17(10-22-2)20-19-11-21)5-8-16(12)13-3-6-15(18)7-4-13/h3-9,11H,10H2,1-2H3,(H,19,21)/b20-17+.
What are the key properties of N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide?
N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide has a molecular weight of 300.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[4-(4-fluorophenyl)-3-methylphenyl]-2-methoxyethylidene]amino]formamide is sourced from PubChem (CID 137475158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).