N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide

C13H11Cl2N3O — CID 2805921

IUPACN-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N3O/c1-18-7-3-6-12(18)13(19)17-16-8-9-10(14)4-2-5-11(9)15/h2-8H,1H3,(H,17,19)
InChIKeyHWRBKCKGDSRBJT-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.10
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide

N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide (PubChem CID 2805921) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide
PubChem CID2805921
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2N3O/c1-18-7-3-6-12(18)13(19)17-16-8-9-10(14)4-2-5-11(9)15/h2-8H,1H3,(H,17,19)
InChIKeyHWRBKCKGDSRBJT-UHFFFAOYSA-N
XLogP3.10
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.10
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

1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
4-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-hydrazide
CID 9590741
3-Pyridinecarboxylic acid, ((2-chlorophenyl)methylene)hydrazide, (E)-
CID 6862672
4-Pyridinecarboxylic (2,4-dichlorobenzylidene)hydrazide
CID 6861539
N'-[(1E)-1-(4-chlorophenyl)ethylidene]pyridine-2-carbohydrazide
CID 9615812
4-chloro-N'-[(pyridin-2-yl)methylidene]benzohydrazide
CID 6792924
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6886357
N-(2-Chloro-benzyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 5884558
2-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-hydrazide
CID 9590742
N-(3-Chloro-4-methyl-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9593172
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
N-[2-(4-chlorophenyl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24820012

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide (CID 2805921) is N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide?
The InChIKey is HWRBKCKGDSRBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-18-7-3-6-12(18)13(19)17-16-8-9-10(14)4-2-5-11(9)15/h2-8H,1H3,(H,17,19).
What are the key properties of N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide?
N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 2805921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).