2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide

C14H20BrNO3 — CID 103852955

IUPAC2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
SMILESCOCCOCCCNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C14H20BrNO3/c1-11-5-3-6-12(13(11)15)14(17)16-7-4-8-19-10-9-18-2/h3,5-6H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyAQPGXCNPBVPXGN-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.54
Rot. Bonds8

About 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide

2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide (PubChem CID 103852955) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
PubChem CID103852955
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
SMILESCOCCOCCCNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C14H20BrNO3/c1-11-5-3-6-12(13(11)15)14(17)16-7-4-8-19-10-9-18-2/h3,5-6H,4,7-10H2,1-2H3,(H,16,17)
InChIKeyAQPGXCNPBVPXGN-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103853593
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-2-bromo-3-methylbenzamide
CID 107983695
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide?
The IUPAC name of 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide (CID 103852955) is 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide is COCCOCCCNC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide?
The InChIKey is AQPGXCNPBVPXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-11-5-3-6-12(13(11)15)14(17)16-7-4-8-19-10-9-18-2/h3,5-6H,4,7-10H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide?
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide is sourced from PubChem (CID 103852955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).