N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide

C20H19Cl2F3N2O — CID 68934058

IUPACN-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCNC[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2F3N2O/c1-27(19(28)12-2-5-14(6-3-12)20(23,24)25)18-8-9-26-11-15(18)13-4-7-16(21)17(22)10-13/h2-7,10,15,18,26H,8-9,11H2,1H3/t15-,18+/m0/s1
InChIKeyUKAVKBLXPCKSGF-MAUKXSAKSA-N
MW431.29 g/mol
LogP5.23
Rot. Bonds3

About N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide

N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 68934058) has the molecular formula C20H19Cl2F3N2O and a molecular weight of 431.29 g/mol. Its IUPAC name is N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID68934058
Molecular FormulaC20H19Cl2F3N2O
Molecular Weight431.29 g/mol
Exact Mass430.08
IUPAC NameN-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCNC[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2F3N2O/c1-27(19(28)12-2-5-14(6-3-12)20(23,24)25)18-8-9-26-11-15(18)13-4-7-16(21)17(22)10-13/h2-7,10,15,18,26H,8-9,11H2,1H3/t15-,18+/m0/s1
InChIKeyUKAVKBLXPCKSGF-MAUKXSAKSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Saredutant
CID 104974
Dnk 333
CID 9939040
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
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
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
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3,4-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
CID 44358731
2,3-dichloro-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
CID 57557353
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
3,4-Dichloro-N-(3,3-diphenyl-allyl)-benzamide
CID 44265913

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide (CID 68934058) is N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCNC[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is UKAVKBLXPCKSGF-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O/c1-27(19(28)12-2-5-14(6-3-12)20(23,24)25)18-8-9-26-11-15(18)13-4-7-16(21)17(22)10-13/h2-7,10,15,18,26H,8-9,11H2,1H3/t15-,18+/m0/s1.
What are the key properties of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide?
N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 431.29 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 68934058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).