2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide

C13H17ClN2O2 — CID 9315307

IUPAC2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
SMILESCCC/C(C)=N\NC(=O)COc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-6-10(2)15-16-13(17)9-18-12-8-5-4-7-11(12)14/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17)/b15-10-
InChIKeyOBBVKNXHHNHFNH-GDNBJRDFSA-N
MW268.74 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide (PubChem CID 9315307) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
PubChem CID9315307
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
SMILESCCC/C(C)=N\NC(=O)COc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-6-10(2)15-16-13(17)9-18-12-8-5-4-7-11(12)14/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17)/b15-10-
InChIKeyOBBVKNXHHNHFNH-GDNBJRDFSA-N
XLogP3.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[(E)-pentan-2-ylideneamino]acetamide
CID 54785679
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 19171619
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
CID 4923025
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
CID 3566595
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
N-[(E)-1-phenylpropan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685205

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide (CID 9315307) is 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide is CCC/C(C)=N\NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide?
The InChIKey is OBBVKNXHHNHFNH-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-6-10(2)15-16-13(17)9-18-12-8-5-4-7-11(12)14/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,17)/b15-10-.
What are the key properties of 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide has a molecular weight of 268.74 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide is sourced from PubChem (CID 9315307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).