2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide

C15H11Cl2FN2O — CID 169367729

IUPAC2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O/c16-8-14(19)20-13-6-3-10(17)7-12(13)15(21)9-1-4-11(18)5-2-9/h1-7H,8H2,(H2,19,20)
InChIKeyPTHQNUFFQGSOSN-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.94
Rot. Bonds4

About 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide

2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide (PubChem CID 169367729) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
PubChem CID169367729
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11Cl2FN2O/c16-8-14(19)20-13-6-3-10(17)7-12(13)15(21)9-1-4-11(18)5-2-9/h1-7H,8H2,(H2,19,20)
InChIKeyPTHQNUFFQGSOSN-UHFFFAOYSA-N
XLogP3.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
CID 169366374
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide
CID 169367720
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
CID 169365881
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
CID 139227476
2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine
CID 168601860
methyl 3-[(1-amino-2-chloroethylidene)amino]-2,6-difluorobenzoate
CID 169365406
N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide
CID 169365573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide (CID 169367729) is 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(Cl)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide?
The InChIKey is PTHQNUFFQGSOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c16-8-14(19)20-13-6-3-10(17)7-12(13)15(21)9-1-4-11(18)5-2-9/h1-7H,8H2,(H2,19,20).
What are the key properties of 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide?
2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide has a molecular weight of 325.17 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide is sourced from PubChem (CID 169367729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).