2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide

C18H16BrClF3N3O2 — CID 69342810

IUPAC2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide
SMILESCCNC(=O)C(CNC(=O)c1ccccc1Br)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H16BrClF3N3O2/c1-2-24-17(28)12(9-26-16(27)11-5-3-4-6-13(11)19)15-14(20)7-10(8-25-15)18(21,22)23/h3-8,12H,2,9H2,1H3,(H,24,28)(H,26,27)
InChIKeyOQAGBRGMSZEVNB-UHFFFAOYSA-N
MW478.70 g/mol
LogP4.17
Rot. Bonds6

About 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide

2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide (PubChem CID 69342810) has the molecular formula C18H16BrClF3N3O2 and a molecular weight of 478.70 g/mol. Its IUPAC name is 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide
PubChem CID69342810
Molecular FormulaC18H16BrClF3N3O2
Molecular Weight478.70 g/mol
Exact Mass477.01
IUPAC Name2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide
SMILESCCNC(=O)C(CNC(=O)c1ccccc1Br)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H16BrClF3N3O2/c1-2-24-17(28)12(9-26-16(27)11-5-3-4-6-13(11)19)15-14(20)7-10(8-25-15)18(21,22)23/h3-8,12H,2,9H2,1H3,(H,24,28)(H,26,27)
InChIKeyOQAGBRGMSZEVNB-UHFFFAOYSA-N
XLogP4.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.70
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide (CID 69342810) is 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide is CCNC(=O)C(CNC(=O)c1ccccc1Br)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide?
The InChIKey is OQAGBRGMSZEVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClF3N3O2/c1-2-24-17(28)12(9-26-16(27)11-5-3-4-6-13(11)19)15-14(20)7-10(8-25-15)18(21,22)23/h3-8,12H,2,9H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide?
2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide has a molecular weight of 478.70 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 69342810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).