2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide

C11H10Cl2F3NO2 — CID 107483219

IUPAC2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N(CCO)CC(F)F
InChIInChI=1S/C11H10Cl2F3NO2/c12-7-4-8(13)9(14)3-6(7)11(19)17(1-2-18)5-10(15)16/h3-4,10,18H,1-2,5H2
InChIKeyLOPYEZHRFOVHPG-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.83
Rot. Bonds5

About 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide

2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 107483219) has the molecular formula C11H10Cl2F3NO2 and a molecular weight of 316.11 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID107483219
Molecular FormulaC11H10Cl2F3NO2
Molecular Weight316.11 g/mol
Exact Mass315.00
IUPAC Name2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N(CCO)CC(F)F
InChIInChI=1S/C11H10Cl2F3NO2/c12-7-4-8(13)9(14)3-6(7)11(19)17(1-2-18)5-10(15)16/h3-4,10,18H,1-2,5H2
InChIKeyLOPYEZHRFOVHPG-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103857427
5-chloro-N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486316
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
CID 107479214
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
3,4,5-trichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 107482488
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
CID 107479991
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
CID 107477906
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107483927

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide (CID 107483219) is 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide is O=C(c1cc(F)c(Cl)cc1Cl)N(CCO)CC(F)F.
What is the InChIKey of 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is LOPYEZHRFOVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO2/c12-7-4-8(13)9(14)3-6(7)11(19)17(1-2-18)5-10(15)16/h3-4,10,18H,1-2,5H2.
What are the key properties of 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide?
2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 316.11 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 107483219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).