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

C15H21Br2NO — CID 114145851

IUPACN-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
SMILESCCCC(CCBr)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H21Br2NO/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)
InChIKeyAXRHJBNWAFKKNX-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.31
Rot. Bonds8

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

N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide (PubChem CID 114145851) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
PubChem CID114145851
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC NameN-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
SMILESCCCC(CCBr)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H21Br2NO/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)
InChIKeyAXRHJBNWAFKKNX-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.31
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
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 106116064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide (CID 114145851) is N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide is CCCC(CCBr)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide?
The InChIKey is AXRHJBNWAFKKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/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-bromophenyl)acetamide?
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide has a molecular weight of 391.15 g/mol, XLogP of 4.31, 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-bromophenyl)acetamide is sourced from PubChem (CID 114145851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).