4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride

C19H20Cl3FN2O — CID 68870525

IUPAC4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCNCC1c1ccc(Cl)c(F)c1.Cl
InChIInChI=1S/C19H19Cl2FN2O.ClH/c1-24(19(25)12-2-5-14(20)6-3-12)18-8-9-23-11-15(18)13-4-7-16(21)17(22)10-13;/h2-7,10,15,18,23H,8-9,11H2,1H3;1H
InChIKeyUMUOEXJHIXVKTM-UHFFFAOYSA-N
MW417.74 g/mol
LogP4.77
Rot. Bonds3

About 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride

4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride (PubChem CID 68870525) has the molecular formula C19H20Cl3FN2O and a molecular weight of 417.74 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
PubChem CID68870525
Molecular FormulaC19H20Cl3FN2O
Molecular Weight417.74 g/mol
Exact Mass416.06
IUPAC Name4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCNCC1c1ccc(Cl)c(F)c1.Cl
InChIInChI=1S/C19H19Cl2FN2O.ClH/c1-24(19(25)12-2-5-14(20)6-3-12)18-8-9-23-11-15(18)13-4-7-16(21)17(22)10-13;/h2-7,10,15,18,23H,8-9,11H2,1H3;1H
InChIKeyUMUOEXJHIXVKTM-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.74
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3S,4R)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
CID 68933912
4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 68935262
4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68930315
N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
CID 68934060
N-[(3R,4S)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631302
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide
CID 68935911
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
3-bromo-N-[3-(3-fluoro-4-methylphenyl)piperidin-4-yl]-N-methyl-5-(trifluoromethyl)benzamide
CID 87628130
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
N-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 87629571

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride (CID 68870525) is 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride is CN(C(=O)c1ccc(Cl)cc1)C1CCNCC1c1ccc(Cl)c(F)c1.Cl.
What is the InChIKey of 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
The InChIKey is UMUOEXJHIXVKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O.ClH/c1-24(19(25)12-2-5-14(20)6-3-12)18-8-9-23-11-15(18)13-4-7-16(21)17(22)10-13;/h2-7,10,15,18,23H,8-9,11H2,1H3;1H.
What are the key properties of 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride?
4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride has a molecular weight of 417.74 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 68870525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).