2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide

C15H12ClF3N2O — CID 169367084

IUPAC2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c16-9-14(20)21-12-7-3-1-5-10(12)11-6-2-4-8-13(11)22-15(17,18)19/h1-8H,9H2,(H2,20,21)
InChIKeyCSJXJVMABMOANV-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.48
Rot. Bonds4

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

2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide (PubChem CID 169367084) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide
PubChem CID169367084
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12ClF3N2O/c16-9-14(20)21-12-7-3-1-5-10(12)11-6-2-4-8-13(11)22-15(17,18)19/h1-8H,9H2,(H2,20,21)
InChIKeyCSJXJVMABMOANV-UHFFFAOYSA-N
XLogP4.48
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.48
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

2-chloro-N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369851
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 63173340
N'-[5-bromo-2-nitro-4-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366114
4-(chloromethyl)-2-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134628055
2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide
CID 169368969
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
CID 168638306
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
dichloromethane;1-isocyanato-2-(trifluoromethoxy)benzene
CID 158893316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide (CID 169367084) is 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide is N/C(CCl)=N/c1ccccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide?
The InChIKey is CSJXJVMABMOANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c16-9-14(20)21-12-7-3-1-5-10(12)11-6-2-4-8-13(11)22-15(17,18)19/h1-8H,9H2,(H2,20,21).
What are the key properties of 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide?
2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide has a molecular weight of 328.72 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide is sourced from PubChem (CID 169367084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).