2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide

C22H24F4N2O4 — CID 2933838

IUPAC2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)C(F)(F)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24F4N2O4/c1-31-17-7-3-15(4-8-17)11-13-27-19(29)21(23,24)22(25,26)20(30)28-14-12-16-5-9-18(32-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIVAMJLKVBDUJPQ-UHFFFAOYSA-N
MW456.44 g/mol
LogP2.99
Rot. Bonds11

About 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide

2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide (PubChem CID 2933838) has the molecular formula C22H24F4N2O4 and a molecular weight of 456.44 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
PubChem CID2933838
Molecular FormulaC22H24F4N2O4
Molecular Weight456.44 g/mol
Exact Mass456.17
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
SMILESCOc1ccc(CCNC(=O)C(F)(F)C(F)(F)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24F4N2O4/c1-31-17-7-3-15(4-8-17)11-13-27-19(29)21(23,24)22(25,26)20(30)28-14-12-16-5-9-18(32-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyIVAMJLKVBDUJPQ-UHFFFAOYSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide 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-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670
N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964427
[4-[2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 622275
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 53465746
2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 44563474
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide (CID 2933838) is 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide is COc1ccc(CCNC(=O)C(F)(F)C(F)(F)C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide?
The InChIKey is IVAMJLKVBDUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O4/c1-31-17-7-3-15(4-8-17)11-13-27-19(29)21(23,24)22(25,26)20(30)28-14-12-16-5-9-18(32-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide has a molecular weight of 456.44 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide is sourced from PubChem (CID 2933838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).