4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide

C12H11Cl2N3O — CID 43642621

IUPAC4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-17-6-8(15)5-11(17)12(18)16-10-4-7(13)2-3-9(10)14/h2-6H,15H2,1H3,(H,16,18)
InChIKeyQTKPCQOAADYYRH-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.17
Rot. Bonds2

About 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43642621) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43642621
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-17-6-8(15)5-11(17)12(18)16-10-4-7(13)2-3-9(10)14/h2-6H,15H2,1H3,(H,16,18)
InChIKeyQTKPCQOAADYYRH-UHFFFAOYSA-N
XLogP3.17
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642583
4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61104697
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642876
4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 104722153
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 63038394
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 106759320
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43642860

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide (CID 43642621) is 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is QTKPCQOAADYYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-17-6-8(15)5-11(17)12(18)16-10-4-7(13)2-3-9(10)14/h2-6H,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43642621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).