N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide

C27H26ClF2N3O3 — CID 46109201

IUPACN-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(CC(OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H26ClF2N3O3/c28-21-11-9-19(10-12-21)25(36-18-22-23(29)7-4-8-24(22)30)17-32-13-15-33(16-14-32)27(35)31-26(34)20-5-2-1-3-6-20/h1-12,25H,13-18H2,(H,31,34,35)
InChIKeyFUOPDVSFXQDVGM-UHFFFAOYSA-N
MW513.97 g/mol
LogP5.04
Rot. Bonds7

About N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide

N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide (PubChem CID 46109201) has the molecular formula C27H26ClF2N3O3 and a molecular weight of 513.97 g/mol. Its IUPAC name is N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide
PubChem CID46109201
Molecular FormulaC27H26ClF2N3O3
Molecular Weight513.97 g/mol
Exact Mass513.16
IUPAC NameN-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(CC(OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H26ClF2N3O3/c28-21-11-9-19(10-12-21)25(36-18-22-23(29)7-4-8-24(22)30)17-32-13-15-33(16-14-32)27(35)31-26(34)20-5-2-1-3-6-20/h1-12,25H,13-18H2,(H,31,34,35)
InChIKeyFUOPDVSFXQDVGM-UHFFFAOYSA-N
XLogP5.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.97
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide 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

4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-N-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 46099146
[4-[(2S)-2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
CID 98330483
[4-[(2S)-2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92770659
[4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 46092252
3-[4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carbonyl]benzonitrile
CID 46090436
1-benzothiophen-2-yl-[4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]methanone
CID 46091177
[4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 46092245
[4-[(2S)-2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 92819993
4-[(2S)-2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-N-phenylpiperazine-1-carboxamide
CID 92771218
4-[(2S)-2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 98403117
1-[4-[(2S)-2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 98223456
[4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 46091181

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide (CID 46109201) is N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide is O=C(NC(=O)N1CCN(CC(OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide?
The InChIKey is FUOPDVSFXQDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N3O3/c28-21-11-9-19(10-12-21)25(36-18-22-23(29)7-4-8-24(22)30)17-32-13-15-33(16-14-32)27(35)31-26(34)20-5-2-1-3-6-20/h1-12,25H,13-18H2,(H,31,34,35).
What are the key properties of N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide?
N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide has a molecular weight of 513.97 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46109201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).