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

C14H14ClN3O — CID 6886357

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-18-8-2-3-13(18)9-14(19)17-16-10-11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,17,19)/b16-10+
InChIKeyOPMKXVIMCFRXLX-MHWRWJLKSA-N
MW275.74 g/mol
LogP2.37
Rot. Bonds4

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

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 6886357) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID6886357
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-18-8-2-3-13(18)9-14(19)17-16-10-11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,17,19)/b16-10+
InChIKeyOPMKXVIMCFRXLX-MHWRWJLKSA-N
XLogP2.37
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 6886357) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is Cn1cccc1CC(=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is OPMKXVIMCFRXLX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18-8-2-3-13(18)9-14(19)17-16-10-11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 275.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 6886357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).