2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide

C12H16BrFN2O — CID 60748378

IUPAC2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
SMILESCC(CNC(=O)c1cc(F)ccc1Br)N(C)C
InChIInChI=1S/C12H16BrFN2O/c1-8(16(2)3)7-15-12(17)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyDQKOCFBMONXCFJ-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.27
Rot. Bonds4

About 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide

2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide (PubChem CID 60748378) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
PubChem CID60748378
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
SMILESCC(CNC(=O)c1cc(F)ccc1Br)N(C)C
InChIInChI=1S/C12H16BrFN2O/c1-8(16(2)3)7-15-12(17)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyDQKOCFBMONXCFJ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide 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-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
2-[[(2-bromo-5-fluorobenzoyl)amino]methyl]butanoic acid
CID 65218202
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 119583493
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34731927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide (CID 60748378) is 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide is CC(CNC(=O)c1cc(F)ccc1Br)N(C)C.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
The InChIKey is DQKOCFBMONXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-8(16(2)3)7-15-12(17)10-6-9(14)4-5-11(10)13/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide?
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide has a molecular weight of 303.18 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide is sourced from PubChem (CID 60748378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).