N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide

C15H20ClFN2O — CID 119673990

IUPACN-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1
InChIInChI=1S/C15H20ClFN2O/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17/h2-3,9-11,18H,4-8H2,1H3,(H,19,20)
InChIKeySJZYTPYQTTWUOC-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.44
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide

N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide (PubChem CID 119673990) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
PubChem CID119673990
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1
InChIInChI=1S/C15H20ClFN2O/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17/h2-3,9-11,18H,4-8H2,1H3,(H,19,20)
InChIKeySJZYTPYQTTWUOC-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-4-ylbutanamide
CID 119697756
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide (CID 119673990) is N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc(Cl)cc1F)C1CCNCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide?
The InChIKey is SJZYTPYQTTWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10(11-4-6-18-7-5-11)8-15(20)19-14-3-2-12(16)9-13(14)17/h2-3,9-11,18H,4-8H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide?
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide has a molecular weight of 298.79 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119673990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).