N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide

C12H14ClF3N2O — CID 18552616

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide
SMILESCCCCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-4-5-10(19)18-11-9(13)6-8(7-17-11)12(14,15)16/h6-7H,2-5H2,1H3,(H,17,18,19)
InChIKeyFRWYJBVXEIEVKO-UHFFFAOYSA-N
MW294.70 g/mol
LogP4.27
Rot. Bonds5

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide (PubChem CID 18552616) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide
PubChem CID18552616
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide
SMILESCCCCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-2-3-4-5-10(19)18-11-9(13)6-8(7-17-11)12(14,15)16/h6-7H,2-5H2,1H3,(H,17,18,19)
InChIKeyFRWYJBVXEIEVKO-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide (CID 18552616) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide is CCCCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide?
The InChIKey is FRWYJBVXEIEVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-2-3-4-5-10(19)18-11-9(13)6-8(7-17-11)12(14,15)16/h6-7H,2-5H2,1H3,(H,17,18,19).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide has a molecular weight of 294.70 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexanamide is sourced from PubChem (CID 18552616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).