4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C10H11Cl2F3N2O2 — CID 103857527

IUPAC4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)N(CCO)CC(F)(F)F)cc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2F3N2O2/c1-16-7(4-6(11)8(16)12)9(19)17(2-3-18)5-10(13,14)15/h4,18H,2-3,5H2,1H3
InChIKeyAJBOXSJHYHNJIV-UHFFFAOYSA-N
MW319.11 g/mol
LogP2.33
Rot. Bonds4

About 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 103857527) has the molecular formula C10H11Cl2F3N2O2 and a molecular weight of 319.11 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID103857527
Molecular FormulaC10H11Cl2F3N2O2
Molecular Weight319.11 g/mol
Exact Mass318.01
IUPAC Name4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)N(CCO)CC(F)(F)F)cc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2F3N2O2/c1-16-7(4-6(11)8(16)12)9(19)17(2-3-18)5-10(13,14)15/h4,18H,2-3,5H2,1H3
InChIKeyAJBOXSJHYHNJIV-UHFFFAOYSA-N
XLogP2.33
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide
CID 54994520
4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 113339799
2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103857427
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486134
2-[tert-butyl-(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]acetic acid
CID 79265860
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 114034182
5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 104625736
2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 107483356
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107486136

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 103857527) is 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is Cn1c(C(=O)N(CCO)CC(F)(F)F)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is AJBOXSJHYHNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F3N2O2/c1-16-7(4-6(11)8(16)12)9(19)17(2-3-18)5-10(13,14)15/h4,18H,2-3,5H2,1H3.
What are the key properties of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 319.11 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 103857527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).