N-(3-bromobutyl)-2,4-difluorobenzamide

C11H12BrF2NO — CID 114312638

IUPACN-(3-bromobutyl)-2,4-difluorobenzamide
SMILESCC(Br)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-7(12)4-5-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyGEQASLXIPXKTRO-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.87
Rot. Bonds4

About N-(3-bromobutyl)-2,4-difluorobenzamide

N-(3-bromobutyl)-2,4-difluorobenzamide (PubChem CID 114312638) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(3-bromobutyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-2,4-difluorobenzamide
PubChem CID114312638
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(3-bromobutyl)-2,4-difluorobenzamide
SMILESCC(Br)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12BrF2NO/c1-7(12)4-5-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyGEQASLXIPXKTRO-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
4-bromo-N-(3-bromobutyl)-2-methylbenzamide
CID 114312653
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-2,4-difluorobenzamide?
The IUPAC name of N-(3-bromobutyl)-2,4-difluorobenzamide (CID 114312638) is N-(3-bromobutyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(3-bromobutyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(3-bromobutyl)-2,4-difluorobenzamide is CC(Br)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(3-bromobutyl)-2,4-difluorobenzamide?
The InChIKey is GEQASLXIPXKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-7(12)4-5-15-11(16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(3-bromobutyl)-2,4-difluorobenzamide?
N-(3-bromobutyl)-2,4-difluorobenzamide has a molecular weight of 292.12 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-2,4-difluorobenzamide is sourced from PubChem (CID 114312638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).