2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide

C8H7ClF2N2O — CID 169367099

IUPAC2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H7ClF2N2O/c9-3-7(12)13-4-1-5(10)8(14)6(11)2-4/h1-2,14H,3H2,(H2,12,13)
InChIKeyULNIOUFUTASPDY-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.90
Rot. Bonds2

About 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide

2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide (PubChem CID 169367099) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
PubChem CID169367099
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H7ClF2N2O/c9-3-7(12)13-4-1-5(10)8(14)6(11)2-4/h1-2,14H,3H2,(H2,12,13)
InChIKeyULNIOUFUTASPDY-UHFFFAOYSA-N
XLogP1.90
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 51.90
H-Bond Donors ≤ 52
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'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
2-chloro-N'-(4-cyclobutyloxy-3,5-difluorophenyl)ethanimidamide
CID 169367351
N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169369581
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
2-chloro-N'-(3-fluoro-5-nitrophenyl)ethanimidamide
CID 169366207
3-[(1-amino-2-chloroethylidene)amino]-5-hydroxybenzoic acid
CID 169365421
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 169368725
2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide
CID 169365670
2-chloro-N'-[4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]ethanimidamide
CID 169368768

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide (CID 169367099) is 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide is N/C(CCl)=N/c1cc(F)c(O)c(F)c1.
What is the InChIKey of 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide?
The InChIKey is ULNIOUFUTASPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-3-7(12)13-4-1-5(10)8(14)6(11)2-4/h1-2,14H,3H2,(H2,12,13).
What are the key properties of 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide?
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide has a molecular weight of 220.61 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide is sourced from PubChem (CID 169367099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).