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

C11H9Cl2F4NO2 — CID 103857427

IUPAC2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H9Cl2F4NO2/c12-7-4-8(13)9(14)3-6(7)10(20)18(1-2-19)5-11(15,16)17/h3-4,19H,1-2,5H2
InChIKeyUSPBHPGWTSSJFW-UHFFFAOYSA-N
MW334.10 g/mol
LogP3.13
Rot. Bonds4

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

2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103857427) has the molecular formula C11H9Cl2F4NO2 and a molecular weight of 334.10 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103857427
Molecular FormulaC11H9Cl2F4NO2
Molecular Weight334.10 g/mol
Exact Mass332.99
IUPAC Name2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H9Cl2F4NO2/c12-7-4-8(13)9(14)3-6(7)10(20)18(1-2-19)5-11(15,16)17/h3-4,19H,1-2,5H2
InChIKeyUSPBHPGWTSSJFW-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 53.13
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-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 107483219
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
3-amino-2,5-difluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 113339799
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
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103915507

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 103857427) is 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cc(F)c(Cl)cc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is USPBHPGWTSSJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F4NO2/c12-7-4-8(13)9(14)3-6(7)10(20)18(1-2-19)5-11(15,16)17/h3-4,19H,1-2,5H2.
What are the key properties of 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 334.10 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103857427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).