3-(5-bromo-2-hydroxyphenyl)propanamide

C9H10BrNO2 — CID 174436889

IUPAC3-(5-bromo-2-hydroxyphenyl)propanamide
SMILESNC(=O)CCc1cc(Br)ccc1O
InChIInChI=1S/C9H10BrNO2/c10-7-2-3-8(12)6(5-7)1-4-9(11)13/h2-3,5,12H,1,4H2,(H2,11,13)
InChIKeyFDEMKYHKVHVLPC-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.57
Rot. Bonds3

About 3-(5-bromo-2-hydroxyphenyl)propanamide

3-(5-bromo-2-hydroxyphenyl)propanamide (PubChem CID 174436889) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)propanamide
PubChem CID174436889
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name3-(5-bromo-2-hydroxyphenyl)propanamide
SMILESNC(=O)CCc1cc(Br)ccc1O
InChIInChI=1S/C9H10BrNO2/c10-7-2-3-8(12)6(5-7)1-4-9(11)13/h2-3,5,12H,1,4H2,(H2,11,13)
InChIKeyFDEMKYHKVHVLPC-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)propanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)propanamide (CID 174436889) is 3-(5-bromo-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)propanamide is NC(=O)CCc1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)propanamide?
The InChIKey is FDEMKYHKVHVLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-7-2-3-8(12)6(5-7)1-4-9(11)13/h2-3,5,12H,1,4H2,(H2,11,13).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)propanamide?
3-(5-bromo-2-hydroxyphenyl)propanamide has a molecular weight of 244.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 174436889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).