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

C14H18BrNO2 — CID 60794150

IUPACN-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCC1CCCO1
InChIInChI=1S/C14H18BrNO2/c1-10-4-5-11(15)9-13(10)16-14(17)7-6-12-3-2-8-18-12/h4-5,9,12H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyFKVHDOSZHQTPLO-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.66
Rot. Bonds4

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

N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 60794150) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
PubChem CID60794150
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCC1CCCO1
InChIInChI=1S/C14H18BrNO2/c1-10-4-5-11(15)9-13(10)16-14(17)7-6-12-3-2-8-18-12/h4-5,9,12H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyFKVHDOSZHQTPLO-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
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-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide (CID 60794150) is N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide is Cc1ccc(Br)cc1NC(=O)CCC1CCCO1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is FKVHDOSZHQTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-4-5-11(15)9-13(10)16-14(17)7-6-12-3-2-8-18-12/h4-5,9,12H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide?
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 312.21 g/mol, XLogP of 3.66, 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-(oxolan-2-yl)propanamide is sourced from PubChem (CID 60794150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).