2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide

C11H14Cl2N2O — CID 169368709

IUPAC2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
SMILESCC(C)Oc1ccc(/N=C(/N)CCl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)16-10-4-3-8(5-9(10)13)15-11(14)6-12/h3-5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyBFFNMYBUGQFFMT-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.35
Rot. Bonds4

About 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide

2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide (PubChem CID 169368709) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
PubChem CID169368709
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
SMILESCC(C)Oc1ccc(/N=C(/N)CCl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)16-10-4-3-8(5-9(10)13)15-11(14)6-12/h3-5,7H,6H2,1-2H3,(H2,14,15)
InChIKeyBFFNMYBUGQFFMT-UHFFFAOYSA-N
XLogP3.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.35
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'-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethanimidamide
CID 169368937
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide
CID 169368208
CID 174561684
CID 174561684
2-[2-(3-chloro-4-propan-2-yloxyphenyl)ethyl]-1-(diaminomethylidene)guanidine
CID 2896331
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
CID 82293995
N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
CID 70131323
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112513000
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
CID 105424992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide (CID 169368709) is 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide is CC(C)Oc1ccc(/N=C(/N)CCl)cc1Cl.
What is the InChIKey of 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide?
The InChIKey is BFFNMYBUGQFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(2)16-10-4-3-8(5-9(10)13)15-11(14)6-12/h3-5,7H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide?
2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide has a molecular weight of 261.15 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide is sourced from PubChem (CID 169368709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).