N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide

C15H20BrNO2 — CID 63940200

IUPACN-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H20BrNO2/c1-11-5-6-12(16)10-14(11)17-15(18)8-7-13-4-2-3-9-19-13/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyCYTFSFGKEUNQEX-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.05
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide

N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide (PubChem CID 63940200) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
PubChem CID63940200
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C15H20BrNO2/c1-11-5-6-12(16)10-14(11)17-15(18)8-7-13-4-2-3-9-19-13/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyCYTFSFGKEUNQEX-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide (CID 63940200) is N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide is Cc1ccc(Br)cc1NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is CYTFSFGKEUNQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-5-6-12(16)10-14(11)17-15(18)8-7-13-4-2-3-9-19-13/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide?
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 326.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63940200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).