N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide

C13H15BrFNO2 — CID 95620382

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCO1)NCc1ccc(Br)cc1F
InChIInChI=1S/C13H15BrFNO2/c14-10-4-3-9(12(15)6-10)8-16-13(17)7-11-2-1-5-18-11/h3-4,6,11H,1-2,5,7-8H2,(H,16,17)/t11-/m1/s1
InChIKeyGKDQXMUDFGHDTB-LLVKDONJSA-N
MW316.17 g/mol
LogP2.77
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide

N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 95620382) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID95620382
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCO1)NCc1ccc(Br)cc1F
InChIInChI=1S/C13H15BrFNO2/c14-10-4-3-9(12(15)6-10)8-16-13(17)7-11-2-1-5-18-11/h3-4,6,11H,1-2,5,7-8H2,(H,16,17)/t11-/m1/s1
InChIKeyGKDQXMUDFGHDTB-LLVKDONJSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194342
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 47078542
N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 124707474
1-[(4-bromo-2-fluorophenyl)methyl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 97249638
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 94125516
1-(4-bromo-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115844482
1-(3-bromo-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-one
CID 54971563
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide (CID 95620382) is N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide is O=C(C[C@H]1CCCO1)NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is GKDQXMUDFGHDTB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-10-4-3-9(12(15)6-10)8-16-13(17)7-11-2-1-5-18-11/h3-4,6,11H,1-2,5,7-8H2,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 316.17 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 95620382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).