N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

C24H25ClF3N3O3 — CID 46409146

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H25ClF3N3O3/c1-15-5-7-16(8-6-15)23(34)31-11-3-4-17(13-31)22(33)30(2)14-21(32)29-18-9-10-20(25)19(12-18)24(26,27)28/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,29,32)
InChIKeyWIKVSIOQHBDOHY-UHFFFAOYSA-N
MW495.93 g/mol
LogP4.62
Rot. Bonds5

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 46409146) has the molecular formula C24H25ClF3N3O3 and a molecular weight of 495.93 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID46409146
Molecular FormulaC24H25ClF3N3O3
Molecular Weight495.93 g/mol
Exact Mass495.15
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C24H25ClF3N3O3/c1-15-5-7-16(8-6-15)23(34)31-11-3-4-17(13-31)22(33)30(2)14-21(32)29-18-9-10-20(25)19(12-18)24(26,27)28/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,29,32)
InChIKeyWIKVSIOQHBDOHY-UHFFFAOYSA-N
XLogP4.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.93
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-ethyl-1-(4-methylbenzoyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxamide
CID 46404082
1-(3,5-dimethylbenzoyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 55957431
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclohexyl-N-methylpropanamide
CID 18229226
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55605846
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
ethyl 1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554734
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42904954
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 46409146) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is WIKVSIOQHBDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O3/c1-15-5-7-16(8-6-15)23(34)31-11-3-4-17(13-31)22(33)30(2)14-21(32)29-18-9-10-20(25)19(12-18)24(26,27)28/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 495.93 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46409146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).