2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide

C19H17Cl2F3N2O — CID 86716260

IUPAC2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
InChIKeyUZKXTPHGWOFFHL-UHFFFAOYSA-N
MW417.26 g/mol
LogP5.40
Rot. Bonds4

About 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide

2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide (PubChem CID 86716260) has the molecular formula C19H17Cl2F3N2O and a molecular weight of 417.26 g/mol. Its IUPAC name is 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide
PubChem CID86716260
Molecular FormulaC19H17Cl2F3N2O
Molecular Weight417.26 g/mol
Exact Mass416.07
IUPAC Name2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27)
InChIKeyUZKXTPHGWOFFHL-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.26
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide (CID 86716260) is 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide is O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide?
The InChIKey is UZKXTPHGWOFFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F3N2O/c20-14-3-1-2-13(16(14)21)17(27)26-11-18(6-8-19(23,24)9-7-18)12-4-5-15(22)25-10-12/h1-5,10H,6-9,11H2,(H,26,27).
What are the key properties of 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide?
2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide has a molecular weight of 417.26 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 86716260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).