3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide

C15H22BrFN2O — CID 81334397

IUPAC3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C15H22BrFN2O/c1-4-10(2)19-15(20)7-8-18-11(3)13-9-12(16)5-6-14(13)17/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyGVWCLQZMVGXRJK-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.54
Rot. Bonds7

About 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide

3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide (PubChem CID 81334397) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
PubChem CID81334397
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C15H22BrFN2O/c1-4-10(2)19-15(20)7-8-18-11(3)13-9-12(16)5-6-14(13)17/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyGVWCLQZMVGXRJK-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 82774284
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 55948157
N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
CID 61022683
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721526
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide (CID 81334397) is 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNC(C)c1cc(Br)ccc1F.
What is the InChIKey of 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide?
The InChIKey is GVWCLQZMVGXRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-4-10(2)19-15(20)7-8-18-11(3)13-9-12(16)5-6-14(13)17/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide?
3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide has a molecular weight of 345.26 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 81334397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).