N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide

C14H17BrClNO2 — CID 103824581

IUPACN-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H17BrClNO2/c15-12-6-4-10(9-13(12)16)17-14(18)7-5-11-3-1-2-8-19-11/h4,6,9,11H,1-3,5,7-8H2,(H,17,18)
InChIKeyRDYASKDTXPUNCU-UHFFFAOYSA-N
MW346.65 g/mol
LogP4.39
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide

N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide (PubChem CID 103824581) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
PubChem CID103824581
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H17BrClNO2/c15-12-6-4-10(9-13(12)16)17-14(18)7-5-11-3-1-2-8-19-11/h4,6,9,11H,1-3,5,7-8H2,(H,17,18)
InChIKeyRDYASKDTXPUNCU-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
CID 63953098
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide (CID 103824581) is N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is RDYASKDTXPUNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-12-6-4-10(9-13(12)16)17-14(18)7-5-11-3-1-2-8-19-11/h4,6,9,11H,1-3,5,7-8H2,(H,17,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide?
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 346.65 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 103824581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).