3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide

C15H16BrNO3 — CID 110889052

IUPAC3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCC(O)c1ccco1
InChIInChI=1S/C15H16BrNO3/c16-12-4-1-3-11(9-12)6-7-15(19)17-10-13(18)14-5-2-8-20-14/h1-5,8-9,13,18H,6-7,10H2,(H,17,19)
InChIKeyOYJFTZRQDCLZGH-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.82
Rot. Bonds6

About 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide

3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide (PubChem CID 110889052) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
PubChem CID110889052
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCC(O)c1ccco1
InChIInChI=1S/C15H16BrNO3/c16-12-4-1-3-11(9-12)6-7-15(19)17-10-13(18)14-5-2-8-20-14/h1-5,8-9,13,18H,6-7,10H2,(H,17,19)
InChIKeyOYJFTZRQDCLZGH-UHFFFAOYSA-N
XLogP2.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
CID 87016967
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
3-bromo-N-[4-[2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-oxoethyl]phenyl]benzamide
CID 78897431
2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide (CID 110889052) is 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide is O=C(CCc1cccc(Br)c1)NCC(O)c1ccco1.
What is the InChIKey of 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The InChIKey is OYJFTZRQDCLZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-12-4-1-3-11(9-12)6-7-15(19)17-10-13(18)14-5-2-8-20-14/h1-5,8-9,13,18H,6-7,10H2,(H,17,19).
What are the key properties of 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide has a molecular weight of 338.20 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 110889052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).