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

C14H20BrFN2O — CID 113244838

IUPAC3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
SMILESCCN(CC)CC(C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFN2O/c1-4-18(5-2)9-10(3)17-14(19)11-6-7-13(16)12(15)8-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyVFSXDYQUWDBVBJ-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.05
Rot. Bonds6

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

3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide (PubChem CID 113244838) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
PubChem CID113244838
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
SMILESCCN(CC)CC(C)NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H20BrFN2O/c1-4-18(5-2)9-10(3)17-14(19)11-6-7-13(16)12(15)8-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyVFSXDYQUWDBVBJ-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
methyl 2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 103706697
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
methyl (2S)-2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbutanoate
CID 113246333
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide (CID 113244838) is 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide is CCN(CC)CC(C)NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide?
The InChIKey is VFSXDYQUWDBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-4-18(5-2)9-10(3)17-14(19)11-6-7-13(16)12(15)8-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide?
3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide has a molecular weight of 331.23 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 113244838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).