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

C15H16BrNO3 — CID 110899131

IUPAC3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC(O)c1ccco1
InChIInChI=1S/C15H16BrNO3/c16-12-5-2-1-4-11(12)7-8-15(19)17-10-13(18)14-6-3-9-20-14/h1-6,9,13,18H,7-8,10H2,(H,17,19)
InChIKeyZKAXCSRFHVOHOS-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.82
Rot. Bonds6

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

3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide (PubChem CID 110899131) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
PubChem CID110899131
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC(O)c1ccco1
InChIInChI=1S/C15H16BrNO3/c16-12-5-2-1-4-11(12)7-8-15(19)17-10-13(18)14-6-3-9-20-14/h1-6,9,13,18H,7-8,10H2,(H,17,19)
InChIKeyZKAXCSRFHVOHOS-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-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1H-indol-3-yl)propanamide
CID 110889323
5-(4-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]pentanamide
CID 87016967
3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99873935
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 110889080
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 86981056

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide (CID 110899131) is 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide is O=C(CCc1ccccc1Br)NCC(O)c1ccco1.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The InChIKey is ZKAXCSRFHVOHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-12-5-2-1-4-11(12)7-8-15(19)17-10-13(18)14-6-3-9-20-14/h1-6,9,13,18H,7-8,10H2,(H,17,19).
What are the key properties of 3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
3-(2-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-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 110899131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).