N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide

C12H15Br2NO2 — CID 114309938

IUPACN-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
SMILESCOCC(Br)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-17-8-11(14)7-15-12(16)6-9-3-2-4-10(13)5-9/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyDJVGRFKAGBZEQZ-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.52
Rot. Bonds6

About N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide

N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide (PubChem CID 114309938) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
PubChem CID114309938
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC NameN-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
SMILESCOCC(Br)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-17-8-11(14)7-15-12(16)6-9-3-2-4-10(13)5-9/h2-5,11H,6-8H2,1H3,(H,15,16)
InChIKeyDJVGRFKAGBZEQZ-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877038
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide (CID 114309938) is N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide is COCC(Br)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide?
The InChIKey is DJVGRFKAGBZEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-17-8-11(14)7-15-12(16)6-9-3-2-4-10(13)5-9/h2-5,11H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide?
N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide has a molecular weight of 365.07 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 114309938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).