4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide

C11H14BrFN2O — CID 107592166

IUPAC4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCCN
InChIInChI=1S/C11H14BrFN2O/c1-7-5-9(13)8(12)6-10(7)15-11(16)3-2-4-14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyFBAKWCJFWNMESO-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.57
Rot. Bonds4

About 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide

4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide (PubChem CID 107592166) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
PubChem CID107592166
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCCN
InChIInChI=1S/C11H14BrFN2O/c1-7-5-9(13)8(12)6-10(7)15-11(16)3-2-4-14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyFBAKWCJFWNMESO-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
CID 106954356
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide?
The IUPAC name of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide (CID 107592166) is 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide is Cc1cc(F)c(Br)cc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide?
The InChIKey is FBAKWCJFWNMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7-5-9(13)8(12)6-10(7)15-11(16)3-2-4-14/h5-6H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide?
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide has a molecular weight of 289.15 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide is sourced from PubChem (CID 107592166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).