4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide

C13H13Cl2N3O — CID 43601084

IUPAC4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNCc1ccccc1NC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-16-7-8-4-2-3-5-10(8)18-13(19)11-6-9(14)12(15)17-11/h2-6,16-17H,7H2,1H3,(H,18,19)
InChIKeyICTTUSLZKAGMJU-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.29
Rot. Bonds4

About 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 43601084) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID43601084
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCNCc1ccccc1NC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-16-7-8-4-2-3-5-10(8)18-13(19)11-6-9(14)12(15)17-11/h2-6,16-17H,7H2,1H3,(H,18,19)
InChIKeyICTTUSLZKAGMJU-UHFFFAOYSA-N
XLogP3.29
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 31301419
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600909
N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601088
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
2-(3-chlorophenyl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 62505669
N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43806529
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 107677077

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 43601084) is 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide is CNCc1ccccc1NC(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ICTTUSLZKAGMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-16-7-8-4-2-3-5-10(8)18-13(19)11-6-9(14)12(15)17-11/h2-6,16-17H,7H2,1H3,(H,18,19).
What are the key properties of 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43601084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).