2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide

C11H13ClF2N2O2 — CID 169368208

IUPAC2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide
SMILESCOc1cc(/N=C(/N)CCl)ccc1OCC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-17-9-4-7(16-11(15)5-12)2-3-8(9)18-6-10(13)14/h2-4,10H,5-6H2,1H3,(H2,15,16)
InChIKeyRMNMDGZQCGTFIZ-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.57
Rot. Bonds6

About 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide

2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide (PubChem CID 169368208) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide
PubChem CID169368208
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide
SMILESCOc1cc(/N=C(/N)CCl)ccc1OCC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-17-9-4-7(16-11(15)5-12)2-3-8(9)18-6-10(13)14/h2-4,10H,5-6H2,1H3,(H2,15,16)
InChIKeyRMNMDGZQCGTFIZ-UHFFFAOYSA-N
XLogP2.57
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide
CID 169367630
3-[(1-amino-2-chloroethylidene)amino]-4-(2,2-difluoroethoxy)benzoic acid
CID 169367608
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
CID 169368709
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521
2-chloro-N'-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]ethanimidamide
CID 169367271
2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide
CID 169367676
2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide
CID 169366388
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
2-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]hydrazinylidene]propanedinitrile
CID 169340481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide (CID 169368208) is 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide is COc1cc(/N=C(/N)CCl)ccc1OCC(F)F.
What is the InChIKey of 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide?
The InChIKey is RMNMDGZQCGTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c1-17-9-4-7(16-11(15)5-12)2-3-8(9)18-6-10(13)14/h2-4,10H,5-6H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide?
2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide has a molecular weight of 278.69 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide is sourced from PubChem (CID 169368208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).