N-(3-bromophenyl)-3-(oxan-2-yl)propanamide

C14H18BrNO2 — CID 63939425

IUPACN-(3-bromophenyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cccc(Br)c1
InChIInChI=1S/C14H18BrNO2/c15-11-4-3-5-12(10-11)16-14(17)8-7-13-6-1-2-9-18-13/h3-5,10,13H,1-2,6-9H2,(H,16,17)
InChIKeyFIKJVRRDAONDCT-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.74
Rot. Bonds4

About N-(3-bromophenyl)-3-(oxan-2-yl)propanamide

N-(3-bromophenyl)-3-(oxan-2-yl)propanamide (PubChem CID 63939425) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(oxan-2-yl)propanamide
PubChem CID63939425
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(3-bromophenyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cccc(Br)c1
InChIInChI=1S/C14H18BrNO2/c15-11-4-3-5-12(10-11)16-14(17)8-7-13-6-1-2-9-18-13/h3-5,10,13H,1-2,6-9H2,(H,16,17)
InChIKeyFIKJVRRDAONDCT-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-(3-acetamidophenyl)-3-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]propanamide
CID 124749501
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(oxan-2-yl)propanamide (CID 63939425) is N-(3-bromophenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is FIKJVRRDAONDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-11-4-3-5-12(10-11)16-14(17)8-7-13-6-1-2-9-18-13/h3-5,10,13H,1-2,6-9H2,(H,16,17).
What are the key properties of N-(3-bromophenyl)-3-(oxan-2-yl)propanamide?
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 312.21 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63939425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).