1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide

C12H11ClN2O — CID 5071699

IUPAC1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-10-4-1-3-9(7-10)8-15-6-2-5-11(15)12(14)16/h1-7H,8H2,(H2,14,16)
InChIKeyBJLNGUITELOITD-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.29
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide

1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide (PubChem CID 5071699) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide
PubChem CID5071699
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1Cc1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O/c13-10-4-1-3-9(7-10)8-15-6-2-5-11(15)12(14)16/h1-7H,8H2,(H2,14,16)
InChIKeyBJLNGUITELOITD-UHFFFAOYSA-N
XLogP2.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide (CID 5071699) is 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide is NC(=O)c1cccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is BJLNGUITELOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-4-1-3-9(7-10)8-15-6-2-5-11(15)12(14)16/h1-7H,8H2,(H2,14,16).
What are the key properties of 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide?
1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 234.69 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 5071699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).