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

C9H9Cl2F3N2O2 — CID 113339799

IUPAC4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c(Cl)[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9Cl2F3N2O2/c10-5-3-6(15-7(5)11)8(18)16(1-2-17)4-9(12,13)14/h3,15,17H,1-2,4H2
InChIKeyJHXRTTZQIPMSNQ-UHFFFAOYSA-N
MW305.08 g/mol
LogP2.32
Rot. Bonds4

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

4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide (PubChem CID 113339799) has the molecular formula C9H9Cl2F3N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
PubChem CID113339799
Molecular FormulaC9H9Cl2F3N2O2
Molecular Weight305.08 g/mol
Exact Mass304.00
IUPAC Name4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c(Cl)[nH]1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9Cl2F3N2O2/c10-5-3-6(15-7(5)11)8(18)16(1-2-17)4-9(12,13)14/h3,15,17H,1-2,4H2
InChIKeyJHXRTTZQIPMSNQ-UHFFFAOYSA-N
XLogP2.32
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61114256
2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103857427
4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 103857527
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 107483356
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 114034182
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486134
4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103915507
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide (CID 113339799) is 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Cl)c(Cl)[nH]1)N(CCO)CC(F)(F)F.
What is the InChIKey of 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JHXRTTZQIPMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N2O2/c10-5-3-6(15-7(5)11)8(18)16(1-2-17)4-9(12,13)14/h3,15,17H,1-2,4H2.
What are the key properties of 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 305.08 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 113339799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).