N'-(4-chlorophenyl)ethanimidamide

C8H9ClN2 — CID 11073830

IUPACN'-(4-chlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3,(H2,10,11)
InChIKeyFBPHZQBQWZDQGC-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.35
Rot. Bonds1

About N'-(4-chlorophenyl)ethanimidamide

N'-(4-chlorophenyl)ethanimidamide (PubChem CID 11073830) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is N'-(4-chlorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)ethanimidamide
PubChem CID11073830
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC NameN'-(4-chlorophenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3,(H2,10,11)
InChIKeyFBPHZQBQWZDQGC-UHFFFAOYSA-N
XLogP2.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chloroaniline
CID 7812
(4-Chlorophenyl)biguanide
CID 19933
Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
CID 2730228
N-(3-Chlorophenyl)guanidine
CID 10374840
N-(Chlorophenyl)-N'-Hydroxyguanidine
CID 181426
N-(4-Chlorophenyl)guanidine
CID 2757788
1-(4-Chlorophenyl)-3-cyanoguanidine
CID 15140
N-(3-Chlorophenyl)imidodicarbonimidic diamide
CID 1354
N-(3,5-dichlorophenyl)imidodicarbonimidic diamide
CID 558969
FORMAMIDINE, N'-(p-CHLOROPHENYL)-N,N-DIMETHYL-
CID 16419
Biguanide, 1-(p-chlorophenyl)-, monohydrochloride
CID 458746
Chlorophenylguanidine
CID 12253678

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)ethanimidamide?
The IUPAC name of N'-(4-chlorophenyl)ethanimidamide (CID 11073830) is N'-(4-chlorophenyl)ethanimidamide.
What is the SMILES notation for N'-(4-chlorophenyl)ethanimidamide?
The canonical SMILES for N'-(4-chlorophenyl)ethanimidamide is C/C(N)=N\c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)ethanimidamide?
The InChIKey is FBPHZQBQWZDQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3,(H2,10,11).
What are the key properties of N'-(4-chlorophenyl)ethanimidamide?
N'-(4-chlorophenyl)ethanimidamide has a molecular weight of 168.63 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)ethanimidamide is sourced from PubChem (CID 11073830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).