N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide

C13H11BrClNO2 — CID 62909114

IUPACN-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClNO2/c14-9-3-5-11(15)12(8-9)16-13(17)6-4-10-2-1-7-18-10/h1-3,5,7-8H,4,6H2,(H,16,17)
InChIKeyWXXZWIOOTJZKCA-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.27
Rot. Bonds4

About N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide

N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide (PubChem CID 62909114) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
PubChem CID62909114
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClNO2/c14-9-3-5-11(15)12(8-9)16-13(17)6-4-10-2-1-7-18-10/h1-3,5,7-8H,4,6H2,(H,16,17)
InChIKeyWXXZWIOOTJZKCA-UHFFFAOYSA-N
XLogP4.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824
4-bromo-3-[3-(furan-2-yl)propanoylamino]benzoic acid
CID 107812592
3,5-dichloro-4-[3-(furan-2-yl)propanoylamino]benzoic acid
CID 82811030
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
CID 79198656
2-(2-aminophenyl)-N-(5-bromo-2-chlorophenyl)acetamide
CID 55132440
N-(2-amino-4,6-dibromophenyl)-3-(furan-2-yl)propanamide
CID 43548458
N-(5-bromo-2-chlorophenyl)-4-hydroxypentanamide
CID 79192467
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
3-[3-(furan-2-yl)propanoylamino]-4-hydroxybenzoic acid
CID 107264676
N-[2-bromo-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(furan-2-yl)propanamide
CID 107790367

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide (CID 62909114) is N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide?
The InChIKey is WXXZWIOOTJZKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c14-9-3-5-11(15)12(8-9)16-13(17)6-4-10-2-1-7-18-10/h1-3,5,7-8H,4,6H2,(H,16,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide?
N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide has a molecular weight of 328.59 g/mol, XLogP of 4.27, 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-chlorophenyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 62909114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).