2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide

C19H19Cl2FN2O — CID 86887457

IUPAC2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1Cl)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19Cl2FN2O/c1-23(19(25)17-12-13(20)2-7-18(17)21)15-8-10-24(11-9-15)16-5-3-14(22)4-6-16/h2-7,12,15H,8-11H2,1H3
InChIKeyAODHLCDQXLDJBJ-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.87
Rot. Bonds3

About 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide

2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide (PubChem CID 86887457) has the molecular formula C19H19Cl2FN2O and a molecular weight of 381.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
PubChem CID86887457
Molecular FormulaC19H19Cl2FN2O
Molecular Weight381.28 g/mol
Exact Mass380.09
IUPAC Name2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1Cl)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19Cl2FN2O/c1-23(19(25)17-12-13(20)2-7-18(17)21)15-8-10-24(11-9-15)16-5-3-14(22)4-6-16/h2-7,12,15H,8-11H2,1H3
InChIKeyAODHLCDQXLDJBJ-UHFFFAOYSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
N-[1-(4-fluorophenyl)piperidin-4-yl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 84597050
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
CID 86944611
N-[2-[(S)-(2,5-dichlorophenyl)sulfinyl]ethyl]-1-(4-fluorophenyl)-N-methylpiperidin-4-amine
CID 95783738
(2,5-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029906
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798635
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
N-[1-(4-fluorophenyl)piperidin-4-yl]-3-hydroxy-4-methoxy-N-methylpyridine-2-carboxamide
CID 166309265
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 98540486
(1R,5R)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 98540487

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide (CID 86887457) is 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide is CN(C(=O)c1cc(Cl)ccc1Cl)C1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide?
The InChIKey is AODHLCDQXLDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O/c1-23(19(25)17-12-13(20)2-7-18(17)21)15-8-10-24(11-9-15)16-5-3-14(22)4-6-16/h2-7,12,15H,8-11H2,1H3.
What are the key properties of 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide?
2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide has a molecular weight of 381.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 86887457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).