2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide

C14H13Cl2N3O2 — CID 6886769

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCn1cccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-19-6-2-3-11(19)8-17-18-14(20)9-21-13-5-4-10(15)7-12(13)16/h2-8H,9H2,1H3,(H,18,20)/b17-8+
InChIKeyHPZBAZXXAWCNDT-CAOOACKPSA-N
MW326.18 g/mol
LogP2.86
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 6886769) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID6886769
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCn1cccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-19-6-2-3-11(19)8-17-18-14(20)9-21-13-5-4-10(15)7-12(13)16/h2-8H,9H2,1H3,(H,18,20)/b17-8+
InChIKeyHPZBAZXXAWCNDT-CAOOACKPSA-N
XLogP2.86
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (CID 6886769) is 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is Cn1cccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is HPZBAZXXAWCNDT-CAOOACKPSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-19-6-2-3-11(19)8-17-18-14(20)9-21-13-5-4-10(15)7-12(13)16/h2-8H,9H2,1H3,(H,18,20)/b17-8+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 326.18 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6886769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).