2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C24H25F6N3O4 — CID 3692227

IUPAC2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CCCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H25F6N3O4/c1-16(36-17-7-9-18(10-8-17)37-24(28,29)30)22(35)33-12-4-11-32(13-14-33)15-21(34)31-20-6-3-2-5-19(20)23(25,26)27/h2-3,5-10,16H,4,11-15H2,1H3,(H,31,34)
InChIKeyMVDVTIWZAQHWND-UHFFFAOYSA-N
MW533.47 g/mol
LogP4.54
Rot. Bonds7

About 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3692227) has the molecular formula C24H25F6N3O4 and a molecular weight of 533.47 g/mol. Its IUPAC name is 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3692227
Molecular FormulaC24H25F6N3O4
Molecular Weight533.47 g/mol
Exact Mass533.17
IUPAC Name2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CCCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H25F6N3O4/c1-16(36-17-7-9-18(10-8-17)37-24(28,29)30)22(35)33-12-4-11-32(13-14-33)15-21(34)31-20-6-3-2-5-19(20)23(25,26)27/h2-3,5-10,16H,4,11-15H2,1H3,(H,31,34)
InChIKeyMVDVTIWZAQHWND-UHFFFAOYSA-N
XLogP4.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]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

2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55364482
2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25495964
N-(2-chlorophenyl)-2-[4-[(2R)-2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]acetamide
CID 9020784
2-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55364439
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-(2,3-dimethylphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 18116033
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-[4-[2-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547533
2-[4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5176986
ethyl N-[3-methyl-1-oxo-1-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]butan-2-yl]carbamate
CID 46427267
2-[4-(3-prop-2-enoxypropanoyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3697374
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3692227) is 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(Oc1ccc(OC(F)(F)F)cc1)C(=O)N1CCCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MVDVTIWZAQHWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O4/c1-16(36-17-7-9-18(10-8-17)37-24(28,29)30)22(35)33-12-4-11-32(13-14-33)15-21(34)31-20-6-3-2-5-19(20)23(25,26)27/h2-3,5-10,16H,4,11-15H2,1H3,(H,31,34).
What are the key properties of 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 533.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3692227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).