5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide

C16H12Cl2F4N2O2 — CID 87262014

IUPAC5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C16H12Cl2F4N2O2/c17-11-5-8(16(20,21)22)6-12(18)14(11)24-9-1-2-13(19)10(7-9)15(26)23-3-4-25/h1-2,5-7,24-25H,3-4H2,(H,23,26)
InChIKeyLEZFMENAFUAIPM-UHFFFAOYSA-N
MW411.18 g/mol
LogP4.62
Rot. Bonds5

About 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide

5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 87262014) has the molecular formula C16H12Cl2F4N2O2 and a molecular weight of 411.18 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID87262014
Molecular FormulaC16H12Cl2F4N2O2
Molecular Weight411.18 g/mol
Exact Mass410.02
IUPAC Name5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C16H12Cl2F4N2O2/c17-11-5-8(16(20,21)22)6-12(18)14(11)24-9-1-2-13(19)10(7-9)15(26)23-3-4-25/h1-2,5-7,24-25H,3-4H2,(H,23,26)
InChIKeyLEZFMENAFUAIPM-UHFFFAOYSA-N
XLogP4.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide (CID 87262014) is 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1F.
What is the InChIKey of 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is LEZFMENAFUAIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F4N2O2/c17-11-5-8(16(20,21)22)6-12(18)14(11)24-9-1-2-13(19)10(7-9)15(26)23-3-4-25/h1-2,5-7,24-25H,3-4H2,(H,23,26).
What are the key properties of 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide?
5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 411.18 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 87262014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).