2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide

C13H18BrNO2 — CID 106260338

IUPAC2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C13H18BrNO2/c1-3-11(14)13(16)15-9-8-10-6-4-5-7-12(10)17-2/h4-7,11H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyVXTZYGSMFFNVCN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.53
Rot. Bonds6

About 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide

2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide (PubChem CID 106260338) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
PubChem CID106260338
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C13H18BrNO2/c1-3-11(14)13(16)15-9-8-10-6-4-5-7-12(10)17-2/h4-7,11H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyVXTZYGSMFFNVCN-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.53
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-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
methyl 2-bromo-3-[2-(2-methoxyphenyl)ethylamino]propanoate
CID 106261817
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106262399
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide (CID 106260338) is 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide is CCC(Br)C(=O)NCCc1ccccc1OC.
What is the InChIKey of 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The InChIKey is VXTZYGSMFFNVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-11(14)13(16)15-9-8-10-6-4-5-7-12(10)17-2/h4-7,11H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide?
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide has a molecular weight of 300.20 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 106260338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).