2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide

C10H10ClF3N2O — CID 169369585

IUPAC2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
SMILESCOc1ccc(C(F)(F)F)cc1/N=C(/N)CCl
InChIInChI=1S/C10H10ClF3N2O/c1-17-8-3-2-6(10(12,13)14)4-7(8)16-9(15)5-11/h2-4H,5H2,1H3,(H2,15,16)
InChIKeyQBIJIRBIEWYKSK-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169369585) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169369585
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
SMILESCOc1ccc(C(F)(F)F)cc1/N=C(/N)CCl
InChIInChI=1S/C10H10ClF3N2O/c1-17-8-3-2-6(10(12,13)14)4-7(8)16-9(15)5-11/h2-4H,5H2,1H3,(H2,15,16)
InChIKeyQBIJIRBIEWYKSK-UHFFFAOYSA-N
XLogP2.94
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.94
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

N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
2-chloro-N'-[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]ethanimidamide
CID 169365601
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
2-chloro-N'-[2-(sulfanylmethyl)-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169368162
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169367038
4-[(1-amino-2-chloroethylidene)amino]-3-methoxybenzoic acid
CID 169365205
1-(diaminomethylidene)-2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]guanidine
CID 168602079
2-chloro-N'-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]ethanimidamide
CID 169367518
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide (CID 169369585) is 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide is COc1ccc(C(F)(F)F)cc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is QBIJIRBIEWYKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-17-8-3-2-6(10(12,13)14)4-7(8)16-9(15)5-11/h2-4H,5H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 266.65 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169369585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).