N'-(4-chloro-3-methoxyphenyl)ethanimidamide

C9H11ClN2O — CID 107623277

IUPACN'-(4-chloro-3-methoxyphenyl)ethanimidamide
SMILESCOc1cc(/N=C(\C)N)ccc1Cl
InChIInChI=1S/C9H11ClN2O/c1-6(11)12-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H2,11,12)
InChIKeyAEPFMUPLAUIHNN-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.36
Rot. Bonds2

About N'-(4-chloro-3-methoxyphenyl)ethanimidamide

N'-(4-chloro-3-methoxyphenyl)ethanimidamide (PubChem CID 107623277) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N'-(4-chloro-3-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-chloro-3-methoxyphenyl)ethanimidamide
PubChem CID107623277
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN'-(4-chloro-3-methoxyphenyl)ethanimidamide
SMILESCOc1cc(/N=C(\C)N)ccc1Cl
InChIInChI=1S/C9H11ClN2O/c1-6(11)12-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H2,11,12)
InChIKeyAEPFMUPLAUIHNN-UHFFFAOYSA-N
XLogP2.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-methoxyphenyl)ethanimidamide?
The IUPAC name of N'-(4-chloro-3-methoxyphenyl)ethanimidamide (CID 107623277) is N'-(4-chloro-3-methoxyphenyl)ethanimidamide.
What is the SMILES notation for N'-(4-chloro-3-methoxyphenyl)ethanimidamide?
The canonical SMILES for N'-(4-chloro-3-methoxyphenyl)ethanimidamide is COc1cc(/N=C(\C)N)ccc1Cl.
What is the InChIKey of N'-(4-chloro-3-methoxyphenyl)ethanimidamide?
The InChIKey is AEPFMUPLAUIHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6(11)12-7-3-4-8(10)9(5-7)13-2/h3-5H,1-2H3,(H2,11,12).
What are the key properties of N'-(4-chloro-3-methoxyphenyl)ethanimidamide?
N'-(4-chloro-3-methoxyphenyl)ethanimidamide has a molecular weight of 198.65 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 107623277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).