N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide

C14H19Br2NO — CID 80659385

IUPACN-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide
SMILESCCCCN(CCBr)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19Br2NO/c1-2-3-8-17(9-7-15)14(18)11-12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3
InChIKeyMBGBVADZVVEAEF-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.02
Rot. Bonds7

About N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide

N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide (PubChem CID 80659385) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide
PubChem CID80659385
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC NameN-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide
SMILESCCCCN(CCBr)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C14H19Br2NO/c1-2-3-8-17(9-7-15)14(18)11-12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3
InChIKeyMBGBVADZVVEAEF-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771726
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
CID 62498199
3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
CID 80659958
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-(2-bromoethyl)-N-butyl-2,6-difluorobenzamide
CID 80658889
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
N-[(3-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426450
2-(3-bromophenyl)-N-propylacetamide
CID 4084138

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide?
The IUPAC name of N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide (CID 80659385) is N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide?
The canonical SMILES for N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide is CCCCN(CCBr)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide?
The InChIKey is MBGBVADZVVEAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-2-3-8-17(9-7-15)14(18)11-12-5-4-6-13(16)10-12/h4-6,10H,2-3,7-9,11H2,1H3.
What are the key properties of N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide?
N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide has a molecular weight of 377.12 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide is sourced from PubChem (CID 80659385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).