N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide

C15H12ClFN2O — CID 4123308

IUPACN-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
SMILESCC(=NNC(=O)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-10(13-4-2-3-5-14(13)16)18-19-15(20)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,19,20)
InChIKeyQAXVKOMPNAUBLB-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.63
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide

N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide (PubChem CID 4123308) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
PubChem CID4123308
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC NameN-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
SMILESCC(=NNC(=O)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-10(13-4-2-3-5-14(13)16)18-19-15(20)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,19,20)
InChIKeyQAXVKOMPNAUBLB-UHFFFAOYSA-N
XLogP3.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-[(2Z)-2-[1-(2-chlorophenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409654
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
4-bromo-N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137139850
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide (CID 4123308) is N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide is CC(=NNC(=O)c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is QAXVKOMPNAUBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-10(13-4-2-3-5-14(13)16)18-19-15(20)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,19,20).
What are the key properties of N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide?
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 290.73 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 4123308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).