2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide

C14H18FNO3 — CID 91787465

IUPAC2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-13-5-6-19-9-12(13)16-14(17)8-10-3-2-4-11(15)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyUALFEEAZTXVLKB-CHWSQXEVSA-N
MW267.30 g/mol
LogP1.29
Rot. Bonds4

About 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide

2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide (PubChem CID 91787465) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
PubChem CID91787465
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-13-5-6-19-9-12(13)16-14(17)8-10-3-2-4-11(15)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyUALFEEAZTXVLKB-CHWSQXEVSA-N
XLogP1.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-(9-methylcarbazol-3-yl)acetamide
CID 91772197
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
2-[(3R,4S)-3-[(3-fluorophenyl)methylcarbamoylamino]oxan-4-yl]oxyacetic acid
CID 91772905
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 136587620
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91766384
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
1-[(3-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxyoxan-4-yl]urea
CID 91768630
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91777220

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide (CID 91787465) is 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide is CO[C@@H]1CCOC[C@H]1NC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
The InChIKey is UALFEEAZTXVLKB-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-13-5-6-19-9-12(13)16-14(17)8-10-3-2-4-11(15)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide has a molecular weight of 267.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 91787465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).