N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide

C14H17ClFNO2 — CID 106300669

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1(CCl)CCOCC1
InChIInChI=1S/C14H17ClFNO2/c15-10-14(4-6-19-7-5-14)17-13(18)9-11-2-1-3-12(16)8-11/h1-3,8H,4-7,9-10H2,(H,17,18)
InChIKeyHBAMCAZFXSZEMM-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.27
Rot. Bonds4

About N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide

N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 106300669) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
PubChem CID106300669
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1(CCl)CCOCC1
InChIInChI=1S/C14H17ClFNO2/c15-10-14(4-6-19-7-5-14)17-13(18)9-11-2-1-3-12(16)8-11/h1-3,8H,4-7,9-10H2,(H,17,18)
InChIKeyHBAMCAZFXSZEMM-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
N-[4-(chloromethyl)oxan-4-yl]-3-(3-methylphenyl)propanamide
CID 106300497
N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide
CID 114170463
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
1-(4-aminooxan-4-yl)-2-(3-fluorophenyl)ethanone
CID 116604489
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
CID 166418624
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
N-[4-(chloromethyl)oxan-4-yl]-4-fluoro-2-hydroxybenzamide
CID 114170563
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide (CID 106300669) is N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is HBAMCAZFXSZEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-10-14(4-6-19-7-5-14)17-13(18)9-11-2-1-3-12(16)8-11/h1-3,8H,4-7,9-10H2,(H,17,18).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide?
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 285.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 106300669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).