N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

C23H24ClF3N2O3 — CID 23512961

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H24ClF3N2O3/c1-32-20-8-4-16(5-9-20)14-21(30)29(15-17-2-6-18(24)7-3-17)19-10-12-28(13-11-19)22(31)23(25,26)27/h2-9,19H,10-15H2,1H3
InChIKeyHHXDMBRLJXKQSF-UHFFFAOYSA-N
MW468.90 g/mol
LogP4.47
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (PubChem CID 23512961) has the molecular formula C23H24ClF3N2O3 and a molecular weight of 468.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
PubChem CID23512961
Molecular FormulaC23H24ClF3N2O3
Molecular Weight468.90 g/mol
Exact Mass468.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H24ClF3N2O3/c1-32-20-8-4-16(5-9-20)14-21(30)29(15-17-2-6-18(24)7-3-17)19-10-12-28(13-11-19)22(31)23(25,26)27/h2-9,19H,10-15H2,1H3
InChIKeyHHXDMBRLJXKQSF-UHFFFAOYSA-N
XLogP4.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.90
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide
CID 91198671
ethyl 4-(4-chloro-N-[2-(4-methoxyphenyl)acetyl]anilino)piperidine-1-carboxylate
CID 23339060
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9299632
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide
CID 10223070
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
N-[1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidin-4-yl]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 23512959
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
2-[cyclohexylmethyl(ethylsulfonyl)amino]-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46108008
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-2-yl)acetamide
CID 91318413

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (CID 23512961) is N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CCN(C(=O)C(F)(F)F)CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The InChIKey is HHXDMBRLJXKQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O3/c1-32-20-8-4-16(5-9-20)14-21(30)29(15-17-2-6-18(24)7-3-17)19-10-12-28(13-11-19)22(31)23(25,26)27/h2-9,19H,10-15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide has a molecular weight of 468.90 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 23512961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).