N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide

C23H27ClFNO4 — CID 13261947

IUPACN-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H]2CCC[C@H](OC(CCCl)c3ccc(F)cc3)O2)cc1
InChIInChI=1S/C23H27ClFNO4/c1-16(27)26-19-9-11-20(12-10-19)28-15-21-3-2-4-23(29-21)30-22(13-14-24)17-5-7-18(25)8-6-17/h5-12,21-23H,2-4,13-15H2,1H3,(H,26,27)/t21-,22?,23+/m1/s1
InChIKeyHDCLSJXOGJZTRS-CTDXOEGXSA-N
MW435.92 g/mol
LogP5.44
Rot. Bonds9

About N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide

N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide (PubChem CID 13261947) has the molecular formula C23H27ClFNO4 and a molecular weight of 435.92 g/mol. Its IUPAC name is N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
PubChem CID13261947
Molecular FormulaC23H27ClFNO4
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC NameN-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H]2CCC[C@H](OC(CCCl)c3ccc(F)cc3)O2)cc1
InChIInChI=1S/C23H27ClFNO4/c1-16(27)26-19-9-11-20(12-10-19)28-15-21-3-2-4-23(29-21)30-22(13-14-24)17-5-7-18(25)8-6-17/h5-12,21-23H,2-4,13-15H2,1H3,(H,26,27)/t21-,22?,23+/m1/s1
InChIKeyHDCLSJXOGJZTRS-CTDXOEGXSA-N
XLogP5.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.92
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]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

N-[4-[[6-[1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide
CID 173435568
N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
N-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 129387400
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
4-[(2S,6S)-6-[(4-fluorophenoxy)methyl]oxan-2-yl]but-3-yn-1-ol
CID 15471017
4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 87020615
N-[4-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 19762958

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide (CID 13261947) is N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@H]2CCC[C@H](OC(CCCl)c3ccc(F)cc3)O2)cc1.
What is the InChIKey of N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is HDCLSJXOGJZTRS-CTDXOEGXSA-N. The full InChI is InChI=1S/C23H27ClFNO4/c1-16(27)26-19-9-11-20(12-10-19)28-15-21-3-2-4-23(29-21)30-22(13-14-24)17-5-7-18(25)8-6-17/h5-12,21-23H,2-4,13-15H2,1H3,(H,26,27)/t21-,22?,23+/m1/s1.
What are the key properties of N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide?
N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 435.92 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,6R)-6-[3-chloro-1-(4-fluorophenyl)propoxy]oxan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 13261947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).