N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide

C17H17FN2O2 — CID 3617176

IUPACN-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-3-22-16-10-6-13(7-11-16)12(2)19-20-17(21)14-4-8-15(18)9-5-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyIBTIAQJARFMJRA-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide

N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide (PubChem CID 3617176) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
PubChem CID3617176
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-3-22-16-10-6-13(7-11-16)12(2)19-20-17(21)14-4-8-15(18)9-5-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyIBTIAQJARFMJRA-UHFFFAOYSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.38
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

N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
CID 9016760
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide (CID 3617176) is N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide is CCOc1ccc(C(C)=NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is IBTIAQJARFMJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-3-22-16-10-6-13(7-11-16)12(2)19-20-17(21)14-4-8-15(18)9-5-14/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide?
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 300.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 3617176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).