2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide

C15H21BrClNO — CID 114164473

IUPAC2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
SMILESCCC(CC)(CCl)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H21BrClNO/c1-3-15(4-2,10-17)11-18-14(19)9-12-6-5-7-13(16)8-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyFOVPOCTXFQOQDE-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.15
Rot. Bonds7

About 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide

2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide (PubChem CID 114164473) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
PubChem CID114164473
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
SMILESCCC(CC)(CCl)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C15H21BrClNO/c1-3-15(4-2,10-17)11-18-14(19)9-12-6-5-7-13(16)8-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyFOVPOCTXFQOQDE-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.15
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-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289
N-[2-(chloromethyl)-2-ethylbutyl]-3-phenylpropanamide
CID 106253806
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
N-[3-(bromomethyl)pentan-3-yl]-2-(3-bromophenyl)acetamide
CID 113275793
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
CID 114010943

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide (CID 114164473) is 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide is CCC(CC)(CCl)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide?
The InChIKey is FOVPOCTXFQOQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-3-15(4-2,10-17)11-18-14(19)9-12-6-5-7-13(16)8-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide?
2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide has a molecular weight of 346.70 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide is sourced from PubChem (CID 114164473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).