N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide

C15H21BrFNO — CID 106118115

IUPACN-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
SMILESCCCC(CCBr)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H21BrFNO/c1-2-4-12(7-8-16)11-18-15(19)10-13-5-3-6-14(17)9-13/h3,5-6,9,12H,2,4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyFVYYLWKDTPXWFW-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.69
Rot. Bonds8

About N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide

N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide (PubChem CID 106118115) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
PubChem CID106118115
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
SMILESCCCC(CCBr)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H21BrFNO/c1-2-4-12(7-8-16)11-18-15(19)10-13-5-3-6-14(17)9-13/h3,5-6,9,12H,2,4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyFVYYLWKDTPXWFW-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.69
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-bromophenyl)acetamide
CID 114145851
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
CID 106117986
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
CID 114145812
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
N-[2-(2-bromoethyl)pentyl]-4-ethylbenzamide
CID 106118118
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide (CID 106118115) is N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide is CCCC(CCBr)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is FVYYLWKDTPXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-4-12(7-8-16)11-18-15(19)10-13-5-3-6-14(17)9-13/h3,5-6,9,12H,2,4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide?
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 330.24 g/mol, XLogP of 3.69, 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-fluorophenyl)acetamide is sourced from PubChem (CID 106118115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).