2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide

C12H16BrNO2 — CID 107905690

IUPAC2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cccc(CCCO)c1
InChIInChI=1S/C12H16BrNO2/c1-9(13)12(16)14-11-6-2-4-10(8-11)5-3-7-15/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyNOKBQKFJFRMUIC-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.33
Rot. Bonds5

About 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide

2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide (PubChem CID 107905690) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
PubChem CID107905690
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cccc(CCCO)c1
InChIInChI=1S/C12H16BrNO2/c1-9(13)12(16)14-11-6-2-4-10(8-11)5-3-7-15/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyNOKBQKFJFRMUIC-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
CID 114145186
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
2-bromo-N-[3-(2-bromopropanoylcarbamoylamino)phenyl]propanamide
CID 44592892
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129
N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide
CID 113397733
1-N,2-N,3-N-tris(3-butylphenyl)propane-1,2,3-tricarboxamide
CID 67992270
N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
CID 114028588
methyl 3-(2-bromopropanoylamino)benzoate
CID 52984160
2-bromo-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 107903702
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide (CID 107905690) is 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide is CC(Br)C(=O)Nc1cccc(CCCO)c1.
What is the InChIKey of 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide?
The InChIKey is NOKBQKFJFRMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(13)12(16)14-11-6-2-4-10(8-11)5-3-7-15/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,14,16).
What are the key properties of 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide?
2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide has a molecular weight of 286.17 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide is sourced from PubChem (CID 107905690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).