4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide

C12H9ClN2O2 — CID 3760524

IUPAC4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1
InChIInChI=1S/C12H9ClN2O2/c13-9-4-2-1-3-8(9)11(16)7-5-10(12(14)17)15-6-7/h1-6,15H,(H2,14,17)
InChIKeyKHJIADKXPXTFQQ-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.00
Rot. Bonds3

About 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide

4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 3760524) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID3760524
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1
InChIInChI=1S/C12H9ClN2O2/c13-9-4-2-1-3-8(9)11(16)7-5-10(12(14)17)15-6-7/h1-6,15H,(H2,14,17)
InChIKeyKHJIADKXPXTFQQ-UHFFFAOYSA-N
XLogP2.00
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide (CID 3760524) is 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide is NC(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1.
What is the InChIKey of 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is KHJIADKXPXTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-9-4-2-1-3-8(9)11(16)7-5-10(12(14)17)15-6-7/h1-6,15H,(H2,14,17).
What are the key properties of 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide?
4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3760524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).