2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide

C19H20ClFN2O — CID 46891027

IUPAC2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccccc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C19H20ClFN2O/c20-15-9-14(10-16(21)11-15)17-3-1-2-4-18(17)19(24)23-12-13-5-7-22-8-6-13/h1-4,9-11,13,22H,5-8,12H2,(H,23,24)
InChIKeyYRYVEIZCVNWMCK-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide

2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46891027) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46891027
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1ccccc1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C19H20ClFN2O/c20-15-9-14(10-16(21)11-15)17-3-1-2-4-18(17)19(24)23-12-13-5-7-22-8-6-13/h1-4,9-11,13,22H,5-8,12H2,(H,23,24)
InChIKeyYRYVEIZCVNWMCK-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890786
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
N-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2-(3-chlorophenyl)benzamide
CID 46891151
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
1-[2-(3-chlorophenyl)phenyl]-3-piperidin-4-ylpropan-1-one
CID 46890851
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 71730774

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide (CID 46891027) is 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1ccccc1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is YRYVEIZCVNWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-15-9-14(10-16(21)11-15)17-3-1-2-4-18(17)19(24)23-12-13-5-7-22-8-6-13/h1-4,9-11,13,22H,5-8,12H2,(H,23,24).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide?
2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 346.83 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46891027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).