N-ethyl-2,5-bis(trifluoromethyl)benzamide

C11H9F6NO — CID 18712272

IUPACN-ethyl-2,5-bis(trifluoromethyl)benzamide
SMILESCCNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-2-18-9(19)7-5-6(10(12,13)14)3-4-8(7)11(15,16)17/h3-5H,2H2,1H3,(H,18,19)
InChIKeyOXYVDPDJRWLQCT-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.47
Rot. Bonds2

About N-ethyl-2,5-bis(trifluoromethyl)benzamide

N-ethyl-2,5-bis(trifluoromethyl)benzamide (PubChem CID 18712272) has the molecular formula C11H9F6NO and a molecular weight of 285.19 g/mol. Its IUPAC name is N-ethyl-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2,5-bis(trifluoromethyl)benzamide
PubChem CID18712272
Molecular FormulaC11H9F6NO
Molecular Weight285.19 g/mol
Exact Mass285.06
IUPAC NameN-ethyl-2,5-bis(trifluoromethyl)benzamide
SMILESCCNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C11H9F6NO/c1-2-18-9(19)7-5-6(10(12,13)14)3-4-8(7)11(15,16)17/h3-5H,2H2,1H3,(H,18,19)
InChIKeyOXYVDPDJRWLQCT-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-2,5-bis(trifluoromethyl)benzamide (CID 18712272) is N-ethyl-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-2,5-bis(trifluoromethyl)benzamide is CCNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is OXYVDPDJRWLQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO/c1-2-18-9(19)7-5-6(10(12,13)14)3-4-8(7)11(15,16)17/h3-5H,2H2,1H3,(H,18,19).
What are the key properties of N-ethyl-2,5-bis(trifluoromethyl)benzamide?
N-ethyl-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 285.19 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 18712272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).