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

C13H15BrClNO2 — CID 81027186

IUPACN-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H15BrClNO2/c14-11-8-9(15)3-5-12(11)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17)
InChIKeyCUSMDSNJZWNZNT-UHFFFAOYSA-N
MW332.63 g/mol
LogP4.00
Rot. Bonds4

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

N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 81027186) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
PubChem CID81027186
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC NameN-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H15BrClNO2/c14-11-8-9(15)3-5-12(11)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17)
InChIKeyCUSMDSNJZWNZNT-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
3-bromo-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157153
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(2-chloro-5-iodophenyl)-3-(oxolan-2-yl)propanamide
CID 113255393
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide (CID 81027186) is N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is CUSMDSNJZWNZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-11-8-9(15)3-5-12(11)16-13(17)6-4-10-2-1-7-18-10/h3,5,8,10H,1-2,4,6-7H2,(H,16,17).
What are the key properties of N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide?
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 332.63 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 81027186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).