2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide

C22H17ClFN3O2 — CID 6088613

IUPAC2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H17ClFN3O2/c1-14(15-8-12-18(24)13-9-15)26-27-22(29)19-4-2-3-5-20(19)25-21(28)16-6-10-17(23)11-7-16/h2-13H,1H3,(H,25,28)(H,27,29)/b26-14-
InChIKeyYDGJUOLWESMMFF-WGARJPEWSA-N
MW409.85 g/mol
LogP4.89
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide

2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide (PubChem CID 6088613) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
PubChem CID6088613
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H17ClFN3O2/c1-14(15-8-12-18(24)13-9-15)26-27-22(29)19-4-2-3-5-20(19)25-21(28)16-6-10-17(23)11-7-16/h2-13H,1H3,(H,25,28)(H,27,29)/b26-14-
InChIKeyYDGJUOLWESMMFF-WGARJPEWSA-N
XLogP4.89
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.89
H-Bond Donors ≤ 52
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

4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
CID 66575367
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6088615
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide
CID 134094152
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
2,5-difluoro-N-[(Z)-1-phenylethylideneamino]benzamide
CID 86621112
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 4578193

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide (CID 6088613) is 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide?
The InChIKey is YDGJUOLWESMMFF-WGARJPEWSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-14(15-8-12-18(24)13-9-15)26-27-22(29)19-4-2-3-5-20(19)25-21(28)16-6-10-17(23)11-7-16/h2-13H,1H3,(H,25,28)(H,27,29)/b26-14-.
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide?
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide has a molecular weight of 409.85 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6088613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).