5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide

C13H18BrFN2O — CID 63693697

IUPAC5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-16(2)7-4-8-17(3)13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyLIGBNTZXDRRTEU-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.61
Rot. Bonds5

About 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide

5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide (PubChem CID 63693697) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
PubChem CID63693697
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-16(2)7-4-8-17(3)13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyLIGBNTZXDRRTEU-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118
4-bromo-N-[3-(dimethylamino)propyl]-N-methyl-2-sulfanylbenzamide
CID 107029984
3-[(5-bromo-2-fluorophenyl)methyl]-1-[3-(dimethylamino)propyl]-1-methylurea
CID 84599997
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide (CID 63693697) is 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide is CN(C)CCCN(C)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide?
The InChIKey is LIGBNTZXDRRTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-16(2)7-4-8-17(3)13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide?
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide has a molecular weight of 317.20 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 63693697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).