2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide

C12H15BrF2N2O — CID 107611809

IUPAC2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H15BrF2N2O/c1-3-4-12(2,16)11(18)17-10-6-8(14)7(13)5-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyLDVZZHSTVXOJIH-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds4

About 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide

2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide (PubChem CID 107611809) has the molecular formula C12H15BrF2N2O and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
PubChem CID107611809
Molecular FormulaC12H15BrF2N2O
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C12H15BrF2N2O/c1-3-4-12(2,16)11(18)17-10-6-8(14)7(13)5-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyLDVZZHSTVXOJIH-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylpentanamide
CID 102853754
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-ethylbutanamide
CID 107611725
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
CID 119778135
2-[(2-amino-2-methylpentanoyl)amino]-4,5-difluorobenzoic acid
CID 62866091
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride
CID 119764617

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide (CID 107611809) is 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide?
The InChIKey is LDVZZHSTVXOJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O/c1-3-4-12(2,16)11(18)17-10-6-8(14)7(13)5-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide?
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide has a molecular weight of 321.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide is sourced from PubChem (CID 107611809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).