2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide

C11H13ClF2N2O2 — CID 169367630

IUPAC2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide
SMILESCCOc1cc(/N=C(/N)CCl)ccc1OC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-2-17-9-5-7(16-10(15)6-12)3-4-8(9)18-11(13)14/h3-5,11H,2,6H2,1H3,(H2,15,16)
InChIKeyJIZJHAFAQLGRPU-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.91
Rot. Bonds6

About 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide

2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide (PubChem CID 169367630) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide
PubChem CID169367630
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide
SMILESCCOc1cc(/N=C(/N)CCl)ccc1OC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-2-17-9-5-7(16-10(15)6-12)3-4-8(9)18-11(13)14/h3-5,11H,2,6H2,1H3,(H2,15,16)
InChIKeyJIZJHAFAQLGRPU-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide
CID 169368208
2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
CID 169368709
N'-[4-bromo-2-(difluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366176
(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
CID 11935921
[[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]thiourea
CID 76872315
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
2-chloro-N'-[2-(difluoromethoxy)-5-nitrophenyl]ethanimidamide
CID 169366177
2-chloro-N'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide
CID 169368937
N'-(4-butan-2-yloxyphenyl)-2-chloroethanimidamide
CID 169365680
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
2-chloro-N'-(2-cyano-4,5-diethoxyphenyl)ethanimidamide
CID 169369665
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide (CID 169367630) is 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide is CCOc1cc(/N=C(/N)CCl)ccc1OC(F)F.
What is the InChIKey of 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide?
The InChIKey is JIZJHAFAQLGRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c1-2-17-9-5-7(16-10(15)6-12)3-4-8(9)18-11(13)14/h3-5,11H,2,6H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide?
2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide has a molecular weight of 278.69 g/mol, XLogP of 2.91, 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-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide is sourced from PubChem (CID 169367630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).