N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide

C11H13BrF2N2O — CID 65469929

IUPACN-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2N2O/c1-15-4-2-3-10(17)16-11-8(13)5-7(12)6-9(11)14/h5-6,15H,2-4H2,1H3,(H,16,17)
InChIKeyCACVYYHWYZYSON-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.67
Rot. Bonds5

About N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide

N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide (PubChem CID 65469929) has the molecular formula C11H13BrF2N2O and a molecular weight of 307.14 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
PubChem CID65469929
Molecular FormulaC11H13BrF2N2O
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2N2O/c1-15-4-2-3-10(17)16-11-8(13)5-7(12)6-9(11)14/h5-6,15H,2-4H2,1H3,(H,16,17)
InChIKeyCACVYYHWYZYSON-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
CID 82852538
3,5-dibromo-2-[4-(methylamino)butanoylamino]benzoic acid
CID 63112292
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 65498940
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-(2-acetamido-4,5-difluorophenyl)-4-(methylamino)butanamide;hydrochloride
CID 119757467
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 65467559
N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
CID 81310912
2-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 113342153
4-bromo-2-[4-(methylamino)butanoylamino]benzoic acid
CID 61160936
3-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 63188229
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide (CID 65469929) is N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide?
The InChIKey is CACVYYHWYZYSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O/c1-15-4-2-3-10(17)16-11-8(13)5-7(12)6-9(11)14/h5-6,15H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide?
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide has a molecular weight of 307.14 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 65469929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).