N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide

C24H24Cl2F6N2O — CID 23567597

IUPACN-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC(CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24Cl2F6N2O/c25-20-5-4-15(12-21(20)26)16(6-9-34-7-2-1-3-8-34)14-33-22(35)17-10-18(23(27,28)29)13-19(11-17)24(30,31)32/h4-5,10-13,16H,1-3,6-9,14H2,(H,33,35)
InChIKeyRXLLYCHLGYKKFM-UHFFFAOYSA-N
MW541.36 g/mol
LogP7.42
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 23567597) has the molecular formula C24H24Cl2F6N2O and a molecular weight of 541.36 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID23567597
Molecular FormulaC24H24Cl2F6N2O
Molecular Weight541.36 g/mol
Exact Mass540.12
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC(CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H24Cl2F6N2O/c25-20-5-4-15(12-21(20)26)16(6-9-34-7-2-1-3-8-34)14-33-22(35)17-10-18(23(27,28)29)13-19(11-17)24(30,31)32/h4-5,10-13,16H,1-3,6-9,14H2,(H,33,35)
InChIKeyRXLLYCHLGYKKFM-UHFFFAOYSA-N
XLogP7.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.36
LogP ≤ 57.42
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-methyl-SSR504734
CID 11704260
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
(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
ZM-274773
CID 9871234
N-[(E,2S)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 11734825

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide (CID 23567597) is N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCC(CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is RXLLYCHLGYKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2F6N2O/c25-20-5-4-15(12-21(20)26)16(6-9-34-7-2-1-3-8-34)14-33-22(35)17-10-18(23(27,28)29)13-19(11-17)24(30,31)32/h4-5,10-13,16H,1-3,6-9,14H2,(H,33,35).
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 541.36 g/mol, XLogP of 7.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-piperidin-1-ylbutyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 23567597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).