5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

C13H11Cl2FN2O — CID 25189626

IUPAC5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(Cl)ccc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-18-11(5-6-12(18)15)13(19)17-7-8-9(14)3-2-4-10(8)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyGQBZMANWGPOVNV-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.40
Rot. Bonds3

About 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 25189626) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID25189626
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(Cl)ccc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-18-11(5-6-12(18)15)13(19)17-7-8-9(14)3-2-4-10(8)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyGQBZMANWGPOVNV-UHFFFAOYSA-N
XLogP3.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
N-[(1s)-1-(2-Chloro-6-Fluorophenyl)ethyl]-5-Cyano-1-Methyl-1h-Pyrrole-2-Carboxamide
CID 24857830
6,7-dichloro-4-(4-fluoro-3-(4-pivaloylpiperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46230332
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
N-[2-(4-chlorophenyl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24820012
1-Methyl-1H-pyrrole-2-carboxylic acid 4-fluoro-benzylamide
CID 11085643
N-benzyl-1-methyl-1H-pyrrole-2-carboxamide
CID 11127627
N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 25189693
N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 25189694
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 25189699
N-[(2-chloro-6-fluorophenyl)methyl]-5-cyano-1-methylpyrrole-2-carboxamide
CID 25189765
6,7-dichloro-4-(4-fluoro-3-(4-(2-methyl-2-(methylamino)propanoyl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46216788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 25189626) is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1c(Cl)ccc1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is GQBZMANWGPOVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-18-11(5-6-12(18)15)13(19)17-7-8-9(14)3-2-4-10(8)16/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 301.15 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 25189626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).