N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide

C15H20BrF2NO — CID 106117964

IUPACN-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
SMILESCCCC(CCBr)CNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H20BrF2NO/c1-2-3-11(6-7-16)10-19-15(20)9-12-4-5-13(17)14(18)8-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,19,20)
InChIKeyUFZUPBKBHKAFME-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.82
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide

N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 106117964) has the molecular formula C15H20BrF2NO and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID106117964
Molecular FormulaC15H20BrF2NO
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
SMILESCCCC(CCBr)CNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H20BrF2NO/c1-2-3-11(6-7-16)10-19-15(20)9-12-4-5-13(17)14(18)8-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,19,20)
InChIKeyUFZUPBKBHKAFME-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
CID 106117986
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
N-[2-(2-bromoethyl)pentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106118024
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
CID 114145812
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide (CID 106117964) is N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide is CCCC(CCBr)CNC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is UFZUPBKBHKAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO/c1-2-3-11(6-7-16)10-19-15(20)9-12-4-5-13(17)14(18)8-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide?
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 348.23 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 106117964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).