N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide

C13H16BrNO2 — CID 42956700

IUPACN-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c14-10-3-5-11(6-4-10)15-13(16)8-7-12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeyYSYMYYLAKRLVDX-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.35
Rot. Bonds4

About N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide

N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 42956700) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
PubChem CID42956700
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c14-10-3-5-11(6-4-10)15-13(16)8-7-12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16)
InChIKeyYSYMYYLAKRLVDX-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide (CID 42956700) is N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is YSYMYYLAKRLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-10-3-5-11(6-4-10)15-13(16)8-7-12-2-1-9-17-12/h3-6,12H,1-2,7-9H2,(H,15,16).
What are the key properties of N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide?
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 298.18 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 42956700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).