4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide

C13H10Cl2N2O2 — CID 1478396

IUPAC4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C(=O)c2cccc(Cl)c2Cl)cc1C(N)=O
InChIInChI=1S/C13H10Cl2N2O2/c1-17-6-7(5-10(17)13(16)19)12(18)8-3-2-4-9(14)11(8)15/h2-6H,1H3,(H2,16,19)
InChIKeyFMLVUFPKCOWTII-UHFFFAOYSA-N
MW297.14 g/mol
LogP2.66
Rot. Bonds3

About 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide

4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide (PubChem CID 1478396) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide
PubChem CID1478396
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C(=O)c2cccc(Cl)c2Cl)cc1C(N)=O
InChIInChI=1S/C13H10Cl2N2O2/c1-17-6-7(5-10(17)13(16)19)12(18)8-3-2-4-9(14)11(8)15/h2-6H,1H3,(H2,16,19)
InChIKeyFMLVUFPKCOWTII-UHFFFAOYSA-N
XLogP2.66
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide (CID 1478396) is 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide is Cn1cc(C(=O)c2cccc(Cl)c2Cl)cc1C(N)=O.
What is the InChIKey of 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is FMLVUFPKCOWTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-17-6-7(5-10(17)13(16)19)12(18)8-3-2-4-9(14)11(8)15/h2-6H,1H3,(H2,16,19).
What are the key properties of 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide?
4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 297.14 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 1478396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).