N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide

C19H17F5N2O — CID 86716269

IUPACN-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide
SMILESO=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cc(F)ccc1F
InChIInChI=1S/C19H17F5N2O/c20-13-2-3-15(21)14(9-13)17(27)26-11-18(5-7-19(23,24)8-6-18)12-1-4-16(22)25-10-12/h1-4,9-10H,5-8,11H2,(H,26,27)
InChIKeyQHQDQDLSKSNOLG-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.38
Rot. Bonds4

About N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide

N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide (PubChem CID 86716269) has the molecular formula C19H17F5N2O and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide
PubChem CID86716269
Molecular FormulaC19H17F5N2O
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide
SMILESO=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cc(F)ccc1F
InChIInChI=1S/C19H17F5N2O/c20-13-2-3-15(21)14(9-13)17(27)26-11-18(5-7-19(23,24)8-6-18)12-1-4-16(22)25-10-12/h1-4,9-10H,5-8,11H2,(H,26,27)
InChIKeyQHQDQDLSKSNOLG-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 42266014
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
CID 126774582
4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 126828456
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide?
The IUPAC name of N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide (CID 86716269) is N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide is O=C(NCC1(c2ccc(F)nc2)CCC(F)(F)CC1)c1cc(F)ccc1F.
What is the InChIKey of N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide?
The InChIKey is QHQDQDLSKSNOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O/c20-13-2-3-15(21)14(9-13)17(27)26-11-18(5-7-19(23,24)8-6-18)12-1-4-16(22)25-10-12/h1-4,9-10H,5-8,11H2,(H,26,27).
What are the key properties of N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide?
N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide has a molecular weight of 384.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-difluoro-1-(6-fluoro-3-pyridinyl)cyclohexyl]methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 86716269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).