2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide

C23H26F2N2O3 — CID 55658381

IUPAC2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H26F2N2O3/c24-18-8-9-19(20(25)15-18)22(29)26-12-4-7-21(28)27-16-23(10-13-30-14-11-23)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,26,29)(H,27,28)
InChIKeyAEJYSUXEZMFZLP-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.34
Rot. Bonds8

About 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide

2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide (PubChem CID 55658381) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
PubChem CID55658381
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H26F2N2O3/c24-18-8-9-19(20(25)15-18)22(29)26-12-4-7-21(28)27-16-23(10-13-30-14-11-23)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,26,29)(H,27,28)
InChIKeyAEJYSUXEZMFZLP-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 171138751
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
CID 42145645
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide (CID 55658381) is 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide?
The InChIKey is AEJYSUXEZMFZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c24-18-8-9-19(20(25)15-18)22(29)26-12-4-7-21(28)27-16-23(10-13-30-14-11-23)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,26,29)(H,27,28).
What are the key properties of 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide?
2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide has a molecular weight of 416.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide is sourced from PubChem (CID 55658381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).