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

C16H14ClFN2O — CID 169367720

IUPAC2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C16H14ClFN2O/c17-10-16(19)20-14-7-6-12(18)9-13(14)15(21)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,19,20)
InChIKeyRJRYHBIEWDVMHM-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.48
Rot. Bonds5

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

2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide (PubChem CID 169367720) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide
PubChem CID169367720
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C16H14ClFN2O/c17-10-16(19)20-14-7-6-12(18)9-13(14)15(21)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,19,20)
InChIKeyRJRYHBIEWDVMHM-UHFFFAOYSA-N
XLogP3.48
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.48
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

1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
CID 132915843
N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169368384
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
2-(2-benzoyl-4-fluorophenyl)-1-(diaminomethylidene)guanidine
CID 168601860
2-[3-[(1-amino-2-chloroethylidene)amino]-4-hydroxyphenyl]acetic acid
CID 169366497
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
2-chloro-N'-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]ethanimidamide
CID 169367518
3-(2,4-difluorophenyl)-3-oxo-N'-phenylpropanimidamide
CID 91455107
tert-butyl 2-[(1-amino-2-chloroethylidene)amino]benzoate
CID 169365806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide (CID 169367720) is 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(F)cc1C(=O)Cc1ccccc1.
What is the InChIKey of 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide?
The InChIKey is RJRYHBIEWDVMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-10-16(19)20-14-7-6-12(18)9-13(14)15(21)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,19,20).
What are the key properties of 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide?
2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide has a molecular weight of 304.75 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-fluoro-2-(2-phenylacetyl)phenyl]ethanimidamide is sourced from PubChem (CID 169367720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).