4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide

C20H18Cl2FN3O — CID 68870993

IUPAC4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C#N)cc1F)C1CCNCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2FN3O/c1-26(20(27)14-4-2-12(10-24)8-18(14)23)19-6-7-25-11-15(19)13-3-5-16(21)17(22)9-13/h2-5,8-9,15,19,25H,6-7,11H2,1H3
InChIKeyFSIWDJFLPYXZLS-UHFFFAOYSA-N
MW406.29 g/mol
LogP4.22
Rot. Bonds3

About 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide

4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide (PubChem CID 68870993) has the molecular formula C20H18Cl2FN3O and a molecular weight of 406.29 g/mol. Its IUPAC name is 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide
PubChem CID68870993
Molecular FormulaC20H18Cl2FN3O
Molecular Weight406.29 g/mol
Exact Mass405.08
IUPAC Name4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C#N)cc1F)C1CCNCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl2FN3O/c1-26(20(27)14-4-2-12(10-24)8-18(14)23)19-6-7-25-11-15(19)13-3-5-16(21)17(22)9-13/h2-5,8-9,15,19,25H,6-7,11H2,1H3
InChIKeyFSIWDJFLPYXZLS-UHFFFAOYSA-N
XLogP4.22
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Saredutant
CID 104974
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
CID 9850582
ZM-274773
CID 9871234
N-((1S)-3-(4-(2-(3,4-dichlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590586
2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46871844
N,N-Diethyl-4-(4-chlorophenyl-piperidin-4-ylidene-methyl)-benzamide
CID 10714960
4-[(4-Chloro-phenyl)-piperazin-1-yl-methyl]-N,N-diethyl-benzamide
CID 10786358
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
CID 11589093
4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 11796211

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide (CID 68870993) is 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(C#N)cc1F)C1CCNCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is FSIWDJFLPYXZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O/c1-26(20(27)14-4-2-12(10-24)8-18(14)23)19-6-7-25-11-15(19)13-3-5-16(21)17(22)9-13/h2-5,8-9,15,19,25H,6-7,11H2,1H3.
What are the key properties of 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide?
4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 406.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 68870993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).