N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide

C19H20ClFN2O — CID 33103568

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H20ClFN2O/c20-18-12-16(21)7-6-15(18)13-23-10-8-17(9-11-23)22-19(24)14-4-2-1-3-5-14/h1-7,12,17H,8-11,13H2,(H,22,24)
InChIKeyAAIJQRZQCLGSHY-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.87
Rot. Bonds4

About N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 33103568) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID33103568
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H20ClFN2O/c20-18-12-16(21)7-6-15(18)13-23-10-8-17(9-11-23)22-19(24)14-4-2-1-3-5-14/h1-7,12,17H,8-11,13H2,(H,22,24)
InChIKeyAAIJQRZQCLGSHY-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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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
3-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]oxybenzoic acid
CID 166295366
N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 68902839
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide (CID 33103568) is N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is AAIJQRZQCLGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-18-12-16(21)7-6-15(18)13-23-10-8-17(9-11-23)22-19(24)14-4-2-1-3-5-14/h1-7,12,17H,8-11,13H2,(H,22,24).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide 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-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33103568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).