2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide

C14H17BrClNO2 — CID 129380773

IUPAC2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)[C@@H]1CCOC1
InChIInChI=1S/C14H17BrClNO2/c1-9(10-4-5-19-8-10)17-14(18)7-11-6-12(16)2-3-13(11)15/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyJVQVIZMHOOKXGA-NXEZZACHSA-N
MW346.65 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide

2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide (PubChem CID 129380773) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide
PubChem CID129380773
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)[C@@H]1CCOC1
InChIInChI=1S/C14H17BrClNO2/c1-9(10-4-5-19-8-10)17-14(18)7-11-6-12(16)2-3-13(11)15/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyJVQVIZMHOOKXGA-NXEZZACHSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115660141
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241573
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801734

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide (CID 129380773) is 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide is C[C@@H](NC(=O)Cc1cc(Cl)ccc1Br)[C@@H]1CCOC1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide?
The InChIKey is JVQVIZMHOOKXGA-NXEZZACHSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-9(10-4-5-19-8-10)17-14(18)7-11-6-12(16)2-3-13(11)15/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,17,18)/t9-,10-/m1/s1.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide?
2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide has a molecular weight of 346.65 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]acetamide is sourced from PubChem (CID 129380773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).