4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride

C20H23Cl2FN2O — CID 68930315

IUPAC4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
SMILESCc1cc(F)ccc1[C@@H]1CNCC[C@H]1N(C)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H22ClFN2O.ClH/c1-13-11-16(22)7-8-17(13)18-12-23-10-9-19(18)24(2)20(25)14-3-5-15(21)6-4-14;/h3-8,11,18-19,23H,9-10,12H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyYQWUNEIBZWEADZ-GRTNUQQKSA-N
MW397.32 g/mol
LogP4.43
Rot. Bonds3

About 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride

4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride (PubChem CID 68930315) has the molecular formula C20H23Cl2FN2O and a molecular weight of 397.32 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
PubChem CID68930315
Molecular FormulaC20H23Cl2FN2O
Molecular Weight397.32 g/mol
Exact Mass396.12
IUPAC Name4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
SMILESCc1cc(F)ccc1[C@@H]1CNCC[C@H]1N(C)C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H22ClFN2O.ClH/c1-13-11-16(22)7-8-17(13)18-12-23-10-9-19(18)24(2)20(25)14-3-5-15(21)6-4-14;/h3-8,11,18-19,23H,9-10,12H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyYQWUNEIBZWEADZ-GRTNUQQKSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68870525
4-[(4-chlorobenzoyl)-methylamino]-3-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68939101
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N,2-dimethylpropanamide
CID 58990758
tert-butyl (3R,4R)-4-[(4-chlorobenzoyl)-methylamino]-3-(4-fluoro-2-methylphenyl)piperidine-1-carboxylate
CID 91010527
(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxylic acid
CID 135353805
4-chloro-N-[(3S,4R)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
CID 68933912
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 68935262
N-[(3R,4S)-4-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
CID 58009216
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
CID 68934060
N-[3-(4-fluoro-2-methylphenyl)-1-piperidin-4-ylpiperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87627482

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride (CID 68930315) is 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride is Cc1cc(F)ccc1[C@@H]1CNCC[C@H]1N(C)C(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
The InChIKey is YQWUNEIBZWEADZ-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H22ClFN2O.ClH/c1-13-11-16(22)7-8-17(13)18-12-23-10-9-19(18)24(2)20(25)14-3-5-15(21)6-4-14;/h3-8,11,18-19,23H,9-10,12H2,1-2H3;1H/t18-,19+;/m0./s1.
What are the key properties of 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride has a molecular weight of 397.32 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 68930315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).