N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide

C15H12ClFN2O — CID 4181605

IUPACN-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
SMILESCC(=NNC(=O)c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-10(13-7-2-3-8-14(13)16)18-19-15(20)11-5-4-6-12(17)9-11/h2-9H,1H3,(H,19,20)
InChIKeyMTOXDQDZGDULPF-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.63
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide

N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide (PubChem CID 4181605) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
PubChem CID4181605
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC NameN-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
SMILESCC(=NNC(=O)c1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c1-10(13-7-2-3-8-14(13)16)18-19-15(20)11-5-4-6-12(17)9-11/h2-9H,1H3,(H,19,20)
InChIKeyMTOXDQDZGDULPF-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]-4-fluorobenzamide
CID 4123308
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
CID 102524209
N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 8826178
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
3-fluoro-N-[1-(2-hydroxy-4-methyl-3-prop-1-enylphenyl)ethylideneamino]benzamide
CID 137119086
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide (CID 4181605) is N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide is CC(=NNC(=O)c1cccc(F)c1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide?
The InChIKey is MTOXDQDZGDULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-10(13-7-2-3-8-14(13)16)18-19-15(20)11-5-4-6-12(17)9-11/h2-9H,1H3,(H,19,20).
What are the key properties of N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide?
N-[1-(2-chlorophenyl)ethylideneamino]-3-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]-3-fluorobenzamide is sourced from PubChem (CID 4181605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).