N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide

C15H20BrF2NO — CID 106288520

IUPACN-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H20BrF2NO/c1-3-10(4-2)13(16)9-19-15(20)7-11-5-6-12(17)8-14(11)18/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyCBJCQFNOQDYRDO-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.82
Rot. Bonds7

About N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide

N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide (PubChem CID 106288520) has the molecular formula C15H20BrF2NO and a molecular weight of 348.23 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
PubChem CID106288520
Molecular FormulaC15H20BrF2NO
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H20BrF2NO/c1-3-10(4-2)13(16)9-19-15(20)7-11-5-6-12(17)8-14(11)18/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyCBJCQFNOQDYRDO-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.82
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-(2-amino-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106286035
N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
CID 106288255
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(2-amino-2-methylpropyl)-2-(2,4-difluorophenyl)acetamide;hydrochloride
CID 119629495
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide
CID 104581240
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
N-(2-bromo-3-ethylpentyl)-2-fluoro-4-nitrobenzamide
CID 106288125
N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide
CID 106287581

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide (CID 106288520) is N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide is CCC(CC)C(Br)CNC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide?
The InChIKey is CBJCQFNOQDYRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO/c1-3-10(4-2)13(16)9-19-15(20)7-11-5-6-12(17)8-14(11)18/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide?
N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide has a molecular weight of 348.23 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 106288520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).