2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide

C12H14BrFN2O3 — CID 78889647

IUPAC2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1cc(F)ccc1Br)NCCO
InChIInChI=1S/C12H14BrFN2O3/c13-10-2-1-8(14)7-9(10)12(19)16-4-3-11(18)15-5-6-17/h1-2,7,17H,3-6H2,(H,15,18)(H,16,19)
InChIKeyGXLJZMNVCDXKEQ-UHFFFAOYSA-N
MW333.16 g/mol
LogP0.82
Rot. Bonds6

About 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide

2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide (PubChem CID 78889647) has the molecular formula C12H14BrFN2O3 and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide
PubChem CID78889647
Molecular FormulaC12H14BrFN2O3
Molecular Weight333.16 g/mol
Exact Mass332.02
IUPAC Name2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1cc(F)ccc1Br)NCCO
InChIInChI=1S/C12H14BrFN2O3/c13-10-2-1-8(14)7-9(10)12(19)16-4-3-11(18)15-5-6-17/h1-2,7,17H,3-6H2,(H,15,18)(H,16,19)
InChIKeyGXLJZMNVCDXKEQ-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]acetic acid
CID 119137083
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
2-bromo-5-fluoro-N-[3-[4-(4-fluorophenoxy)butylamino]-3-oxopropyl]benzamide
CID 55793280
2-bromo-N-[3-[2-(cyclohexanecarbonylamino)ethylamino]-3-oxopropyl]-5-fluorobenzamide
CID 55805759
2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]butanoic acid
CID 119223499
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide
CID 55795726

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide (CID 78889647) is 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1cc(F)ccc1Br)NCCO.
What is the InChIKey of 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide?
The InChIKey is GXLJZMNVCDXKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O3/c13-10-2-1-8(14)7-9(10)12(19)16-4-3-11(18)15-5-6-17/h1-2,7,17H,3-6H2,(H,15,18)(H,16,19).
What are the key properties of 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide?
2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide has a molecular weight of 333.16 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 78889647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).