4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide

C11H10Cl2N2OS — CID 32831369

IUPAC4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H10Cl2N2OS/c1-15-6-7(12)4-9(15)11(16)14-5-8-2-3-10(13)17-8/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXHGRKJVQWQMRRU-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 32831369) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID32831369
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C11H10Cl2N2OS/c1-15-6-7(12)4-9(15)11(16)14-5-8-2-3-10(13)17-8/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXHGRKJVQWQMRRU-UHFFFAOYSA-N
XLogP3.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 113231385
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
CID 154796695
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide (CID 32831369) is 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XHGRKJVQWQMRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-15-6-7(12)4-9(15)11(16)14-5-8-2-3-10(13)17-8/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 289.19 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 32831369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).