3-amino-N-(3-bromo-4-fluorophenyl)butanamide

C10H12BrFN2O — CID 115738294

IUPAC3-amino-N-(3-bromo-4-fluorophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O/c1-6(13)4-10(15)14-7-2-3-9(12)8(11)5-7/h2-3,5-6H,4,13H2,1H3,(H,14,15)
InChIKeyVXCKQVAOYVRZTN-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.26
Rot. Bonds3

About 3-amino-N-(3-bromo-4-fluorophenyl)butanamide

3-amino-N-(3-bromo-4-fluorophenyl)butanamide (PubChem CID 115738294) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-fluorophenyl)butanamide
PubChem CID115738294
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name3-amino-N-(3-bromo-4-fluorophenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFN2O/c1-6(13)4-10(15)14-7-2-3-9(12)8(11)5-7/h2-3,5-6H,4,13H2,1H3,(H,14,15)
InChIKeyVXCKQVAOYVRZTN-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
3-(4-aminophenyl)-N-(3-bromo-4-fluorophenyl)butanamide
CID 104778329
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
CID 104778265
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
CID 119821015
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]butanamide;hydrochloride
CID 119814244
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-fluorophenyl)butanamide?
The IUPAC name of 3-amino-N-(3-bromo-4-fluorophenyl)butanamide (CID 115738294) is 3-amino-N-(3-bromo-4-fluorophenyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-fluorophenyl)butanamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-fluorophenyl)butanamide is CC(N)CC(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of 3-amino-N-(3-bromo-4-fluorophenyl)butanamide?
The InChIKey is VXCKQVAOYVRZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6(13)4-10(15)14-7-2-3-9(12)8(11)5-7/h2-3,5-6H,4,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(3-bromo-4-fluorophenyl)butanamide?
3-amino-N-(3-bromo-4-fluorophenyl)butanamide has a molecular weight of 275.12 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-4-fluorophenyl)butanamide is sourced from PubChem (CID 115738294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).