2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide

C15H20ClFN2O2 — CID 81454510

IUPAC2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
SMILESO=C(NCCCOC1CCNCC1)c1cccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O2/c16-14-12(3-1-4-13(14)17)15(20)19-7-2-10-21-11-5-8-18-9-6-11/h1,3-4,11,18H,2,5-10H2,(H,19,20)
InChIKeyLLPLJIQIOJTBIE-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.37
Rot. Bonds6

About 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide

2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide (PubChem CID 81454510) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
PubChem CID81454510
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
SMILESO=C(NCCCOC1CCNCC1)c1cccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O2/c16-14-12(3-1-4-13(14)17)15(20)19-7-2-10-21-11-5-8-18-9-6-11/h1,3-4,11,18H,2,5-10H2,(H,19,20)
InChIKeyLLPLJIQIOJTBIE-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide 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

3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988
2-chloro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63871254
N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
CID 106855106
2-fluoro-6-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 65434238
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
3-hydroxy-N-(3-piperidin-4-yloxypropyl)pyridine-2-carboxamide
CID 63870452
N-(3-piperidin-4-yloxypropyl)thiophene-2-carboxamide
CID 63870121
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide (CID 81454510) is 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide is O=C(NCCCOC1CCNCC1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
The InChIKey is LLPLJIQIOJTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c16-14-12(3-1-4-13(14)17)15(20)19-7-2-10-21-11-5-8-18-9-6-11/h1,3-4,11,18H,2,5-10H2,(H,19,20).
What are the key properties of 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide has a molecular weight of 314.79 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide is sourced from PubChem (CID 81454510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).