4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide

C11H12BrF3N2O — CID 65491997

IUPAC4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12BrF3N2O/c12-8-4-7(11(13,14)15)5-9(6-8)17-10(18)2-1-3-16/h4-6H,1-3,16H2,(H,17,18)
InChIKeyXFKRSMSZJRAWLJ-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.15
Rot. Bonds4

About 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide

4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 65491997) has the molecular formula C11H12BrF3N2O and a molecular weight of 325.13 g/mol. Its IUPAC name is 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
PubChem CID65491997
Molecular FormulaC11H12BrF3N2O
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC Name4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C11H12BrF3N2O/c12-8-4-7(11(13,14)15)5-9(6-8)17-10(18)2-1-3-16/h4-6H,1-3,16H2,(H,17,18)
InChIKeyXFKRSMSZJRAWLJ-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 65491424
7-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]heptanamide
CID 116699799
1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 115453437
3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65491204
N-[3,5-bis(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119672496
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
3-bromo-N-(3,5-dibromophenyl)propanamide
CID 164647676
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 65491007
6-[3-chloro-5-(trifluoromethyl)anilino]-6-oxohexanoic acid
CID 116698763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide (CID 65491997) is 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide is NCCCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is XFKRSMSZJRAWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O/c12-8-4-7(11(13,14)15)5-9(6-8)17-10(18)2-1-3-16/h4-6H,1-3,16H2,(H,17,18).
What are the key properties of 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide?
4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 325.13 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 65491997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).