5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

C12H16BrFN2O2 — CID 104593777

IUPAC5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O2/c1-8(17)7-15-4-5-16-12(18)10-6-9(13)2-3-11(10)14/h2-3,6,8,15,17H,4-5,7H2,1H3,(H,16,18)
InChIKeyPKUOAEYYGGKORL-UHFFFAOYSA-N
MW319.17 g/mol
LogP1.29
Rot. Bonds6

About 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (PubChem CID 104593777) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
PubChem CID104593777
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O2/c1-8(17)7-15-4-5-16-12(18)10-6-9(13)2-3-11(10)14/h2-3,6,8,15,17H,4-5,7H2,1H3,(H,16,18)
InChIKeyPKUOAEYYGGKORL-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36909799
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (CID 104593777) is 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is CC(O)CNCCNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The InChIKey is PKUOAEYYGGKORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-8(17)7-15-4-5-16-12(18)10-6-9(13)2-3-11(10)14/h2-3,6,8,15,17H,4-5,7H2,1H3,(H,16,18).
What are the key properties of 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide has a molecular weight of 319.17 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is sourced from PubChem (CID 104593777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).