N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide

C22H24ClF3N4O2 — CID 41252536

IUPACN-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCc2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H24ClF3N4O2/c23-17-5-3-4-16(14-17)8-9-27-21(32)30-12-10-29(11-13-30)15-20(31)28-19-7-2-1-6-18(19)22(24,25)26/h1-7,14H,8-13,15H2,(H,27,32)(H,28,31)
InChIKeySWACMIPFAVRHLF-UHFFFAOYSA-N
MW468.91 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide

N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide (PubChem CID 41252536) has the molecular formula C22H24ClF3N4O2 and a molecular weight of 468.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide
PubChem CID41252536
Molecular FormulaC22H24ClF3N4O2
Molecular Weight468.91 g/mol
Exact Mass468.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCc2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H24ClF3N4O2/c23-17-5-3-4-16(14-17)8-9-27-21(32)30-12-10-29(11-13-30)15-20(31)28-19-7-2-1-6-18(19)22(24,25)26/h1-7,14H,8-13,15H2,(H,27,32)(H,28,31)
InChIKeySWACMIPFAVRHLF-UHFFFAOYSA-N
XLogP3.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.91
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27162104
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55364482
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980
2-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32753939
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide (CID 41252536) is N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide is O=C(CN1CCN(C(=O)NCCc2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide?
The InChIKey is SWACMIPFAVRHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O2/c23-17-5-3-4-16(14-17)8-9-27-21(32)30-12-10-29(11-13-30)15-20(31)28-19-7-2-1-6-18(19)22(24,25)26/h1-7,14H,8-13,15H2,(H,27,32)(H,28,31).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide has a molecular weight of 468.91 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 41252536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).