4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide

C12H8Cl2N2O2 — CID 2764351

IUPAC4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1
InChIInChI=1S/C12H8Cl2N2O2/c13-7-1-2-8(9(14)4-7)11(17)6-3-10(12(15)18)16-5-6/h1-5,16H,(H2,15,18)
InChIKeyDOXBYNLAZJGYIO-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide

4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 2764351) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID2764351
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1
InChIInChI=1S/C12H8Cl2N2O2/c13-7-1-2-8(9(14)4-7)11(17)6-3-10(12(15)18)16-5-6/h1-5,16H,(H2,15,18)
InChIKeyDOXBYNLAZJGYIO-UHFFFAOYSA-N
XLogP2.65
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
CID 1478398
(2,4-dichlorophenyl)-[5-(1H-1,2,4-triazol-5-yl)-1H-pyrrol-3-yl]methanone
CID 2764826
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(2,4-dichlorophenyl)-(4-phosphorosophenyl)methanone
CID 141016056
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide (CID 2764351) is 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide is NC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1.
What is the InChIKey of 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DOXBYNLAZJGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-7-1-2-8(9(14)4-7)11(17)6-3-10(12(15)18)16-5-6/h1-5,16H,(H2,15,18).
What are the key properties of 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 283.11 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2764351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).