N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide

C19H20ClFN2O — CID 23723257

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide
SMILESO=C(NC1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C19H20ClFN2O/c20-16-8-6-14(7-9-16)12-23-10-2-5-18(13-23)22-19(24)15-3-1-4-17(21)11-15/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24)
InChIKeyWQACHWKSUMPYMH-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.87
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide (PubChem CID 23723257) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide
PubChem CID23723257
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide
SMILESO=C(NC1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(F)c1
InChIInChI=1S/C19H20ClFN2O/c20-16-8-6-14(7-9-16)12-23-10-2-5-18(13-23)22-19(24)15-3-1-4-17(21)11-15/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24)
InChIKeyWQACHWKSUMPYMH-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide (CID 23723257) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide is O=C(NC1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(F)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide?
The InChIKey is WQACHWKSUMPYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-16-8-6-14(7-9-16)12-23-10-2-5-18(13-23)22-19(24)15-3-1-4-17(21)11-15/h1,3-4,6-9,11,18H,2,5,10,12-13H2,(H,22,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide has a molecular weight of 346.83 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 23723257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).