N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide

C15H20ClFN2O — CID 42911884

IUPACN-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H20ClFN2O/c1-10-4-3-7-19(9-10)11(2)15(20)18-14-6-5-12(17)8-13(14)16/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeyBTJAMNAHNRTYMZ-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.54
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide

N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide (PubChem CID 42911884) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
PubChem CID42911884
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(F)cc2Cl)C1
InChIInChI=1S/C15H20ClFN2O/c1-10-4-3-7-19(9-10)11(2)15(20)18-14-6-5-12(17)8-13(14)16/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeyBTJAMNAHNRTYMZ-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide
CID 166185461
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774044
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide (CID 42911884) is N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)Nc2ccc(F)cc2Cl)C1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is BTJAMNAHNRTYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10-4-3-7-19(9-10)11(2)15(20)18-14-6-5-12(17)8-13(14)16/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 298.79 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 42911884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).