2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide

C16H11Cl2F4N3O2 — CID 175554236

IUPAC2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(N)C(=O)Nc1cnc(C(F)(F)F)c(Cl)c1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11Cl2F4N3O2/c1-6(23)15(27)25-9-5-24-14(16(20,21)22)12(18)11(9)13(26)10-7(17)3-2-4-8(10)19/h2-6H,23H2,1H3,(H,25,27)
InChIKeyGJLIBTCHYVTKHS-UHFFFAOYSA-N
MW424.18 g/mol
LogP4.06
Rot. Bonds4

About 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide

2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 175554236) has the molecular formula C16H11Cl2F4N3O2 and a molecular weight of 424.18 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID175554236
Molecular FormulaC16H11Cl2F4N3O2
Molecular Weight424.18 g/mol
Exact Mass423.02
IUPAC Name2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(N)C(=O)Nc1cnc(C(F)(F)F)c(Cl)c1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11Cl2F4N3O2/c1-6(23)15(27)25-9-5-24-14(16(20,21)22)12(18)11(9)13(26)10-7(17)3-2-4-8(10)19/h2-6H,23H2,1H3,(H,25,27)
InChIKeyGJLIBTCHYVTKHS-UHFFFAOYSA-N
XLogP4.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.18
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 175554236) is 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(N)C(=O)Nc1cnc(C(F)(F)F)c(Cl)c1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is GJLIBTCHYVTKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F4N3O2/c1-6(23)15(27)25-9-5-24-14(16(20,21)22)12(18)11(9)13(26)10-7(17)3-2-4-8(10)19/h2-6H,23H2,1H3,(H,25,27).
What are the key properties of 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide?
2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 424.18 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-4-(2-chloro-6-fluorobenzoyl)-6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 175554236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).