2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide

C12H16ClFN2O — CID 169367676

IUPAC2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide
SMILESCC(C)COc1ccc(F)cc1/N=C(/N)CCl
InChIInChI=1S/C12H16ClFN2O/c1-8(2)7-17-11-4-3-9(14)5-10(11)16-12(15)6-13/h3-5,8H,6-7H2,1-2H3,(H2,15,16)
InChIKeyZWGRRYFBOPCGHU-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.09
Rot. Bonds5

About 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide

2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide (PubChem CID 169367676) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide
PubChem CID169367676
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide
SMILESCC(C)COc1ccc(F)cc1/N=C(/N)CCl
InChIInChI=1S/C12H16ClFN2O/c1-8(2)7-17-11-4-3-9(14)5-10(11)16-12(15)6-13/h3-5,8H,6-7H2,1-2H3,(H2,15,16)
InChIKeyZWGRRYFBOPCGHU-UHFFFAOYSA-N
XLogP3.09
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.09
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-(2,2-dimethylpropoxy)-5-fluorophenyl]ethanimidamide
CID 169367518
3-[(1-amino-2-chloroethylidene)amino]-4-(2,2-difluoroethoxy)benzoic acid
CID 169367608
4-fluoro-2-isocyanato-1-(2-methylpropoxy)benzene
CID 169354128
N'-(2-butoxyphenyl)-2-chloroethanimidamide
CID 169368773
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide
CID 169368208
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
N'-[3-bromo-2-(difluoromethoxy)-5-fluorophenyl]-2-chloroethanimidamide
CID 169366376
N'-[4-bromo-2-(difluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366176

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide (CID 169367676) is 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide is CC(C)COc1ccc(F)cc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide?
The InChIKey is ZWGRRYFBOPCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(2)7-17-11-4-3-9(14)5-10(11)16-12(15)6-13/h3-5,8H,6-7H2,1-2H3,(H2,15,16).
What are the key properties of 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide?
2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide has a molecular weight of 258.72 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169367676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).