N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide

C16H13Cl2FN2O — CID 7428850

IUPACN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2FN2O/c1-10(14-9-12(17)4-7-15(14)18)20-21-16(22)8-11-2-5-13(19)6-3-11/h2-7,9H,8H2,1H3,(H,21,22)/b20-10-
InChIKeyFBQOSCBVVAZDJE-JMIUGGIZSA-N
MW339.20 g/mol
LogP4.22
Rot. Bonds4

About N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide

N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 7428850) has the molecular formula C16H13Cl2FN2O and a molecular weight of 339.20 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID7428850
Molecular FormulaC16H13Cl2FN2O
Molecular Weight339.20 g/mol
Exact Mass338.04
IUPAC NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2FN2O/c1-10(14-9-12(17)4-7-15(14)18)20-21-16(22)8-11-2-5-13(19)6-3-11/h2-7,9H,8H2,1H3,(H,21,22)/b20-10-
InChIKeyFBQOSCBVVAZDJE-JMIUGGIZSA-N
XLogP4.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.22
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-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428724
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 137104459
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7429040
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213512
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]acetamide
CID 9316609
N-[3-[N-[[2-(4-chlorophenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-fluorobenzamide
CID 4087399

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide (CID 7428850) is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide is C/C(=N/NC(=O)Cc1ccc(F)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is FBQOSCBVVAZDJE-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O/c1-10(14-9-12(17)4-7-15(14)18)20-21-16(22)8-11-2-5-13(19)6-3-11/h2-7,9H,8H2,1H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 339.20 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7428850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).