N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide

C14H18BrF2NO — CID 114311830

IUPACN-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
SMILESCC(C)CC(CBr)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H18BrF2NO/c1-9(2)6-11(8-15)18-13(19)7-10-4-3-5-12(16)14(10)17/h3-5,9,11H,6-8H2,1-2H3,(H,18,19)
InChIKeyZKDAEARFGKLTKR-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.43
Rot. Bonds6

About N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide

N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide (PubChem CID 114311830) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
PubChem CID114311830
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
SMILESCC(C)CC(CBr)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H18BrF2NO/c1-9(2)6-11(8-15)18-13(19)7-10-4-3-5-12(16)14(10)17/h3-5,9,11H,6-8H2,1-2H3,(H,18,19)
InChIKeyZKDAEARFGKLTKR-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.43
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-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666
2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
CID 97245023
N-(1-bromobutan-2-yl)-2-(2,6-difluorophenyl)acetamide
CID 114307818
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114308202
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
CID 107563589
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide (CID 114311830) is N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide is CC(C)CC(CBr)NC(=O)Cc1cccc(F)c1F.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide?
The InChIKey is ZKDAEARFGKLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-9(2)6-11(8-15)18-13(19)7-10-4-3-5-12(16)14(10)17/h3-5,9,11H,6-8H2,1-2H3,(H,18,19).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide?
N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide has a molecular weight of 334.20 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 114311830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).