N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide

C12H14BrF2NO — CID 114307818

IUPACN-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H14BrF2NO/c1-2-8(7-13)16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyHUUJXBHBWYWELN-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.80
Rot. Bonds5

About N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide

N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide (PubChem CID 114307818) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
PubChem CID114307818
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC NameN-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
SMILESCCC(CBr)NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H14BrF2NO/c1-2-8(7-13)16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyHUUJXBHBWYWELN-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.80
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

N-(1-bromopentan-3-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 113496430
N-(1-bromobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 114307554
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114311830
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
CID 114390036
2-(2,6-difluorophenyl)-N-(1-iodo-3-methylbutan-2-yl)acetamide
CID 107859944
2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 61486944
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822798
N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110466057
(E)-2-[[2-(2,6-difluorophenyl)acetyl]amino]hex-4-enoic acid
CID 120694231

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide (CID 114307818) is N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide is CCC(CBr)NC(=O)Cc1c(F)cccc1F.
What is the InChIKey of N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide?
The InChIKey is HUUJXBHBWYWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-2-8(7-13)16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,8H,2,6-7H2,1H3,(H,16,17).
What are the key properties of N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide?
N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide has a molecular weight of 306.15 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 114307818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).