3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide

C12H16BrFN2O — CID 107953084

IUPAC3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-8(7-16(2)3)15-12(17)9-4-5-11(14)10(13)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyIIWIYSQXDSNQQD-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.27
Rot. Bonds4

About 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide

3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide (PubChem CID 107953084) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
PubChem CID107953084
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
SMILESCC(CN(C)C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-8(7-16(2)3)15-12(17)9-4-5-11(14)10(13)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyIIWIYSQXDSNQQD-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

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Related Compounds

3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
CID 113244838
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
5-[4-[[(2R)-1-(dimethylamino)propan-2-yl]carbamoyl]phenyl]-2-fluorobenzamide
CID 125445265
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
2-N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945400

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide (CID 107953084) is 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide is CC(CN(C)C)NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
The InChIKey is IIWIYSQXDSNQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-8(7-16(2)3)15-12(17)9-4-5-11(14)10(13)6-9/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide?
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-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 3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 107953084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).