2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide

C10H12BrNO3 — CID 166001059

IUPAC2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide
SMILESCc1cccc(C(=O)NOCCO)c1Br
InChIInChI=1S/C10H12BrNO3/c1-7-3-2-4-8(9(7)11)10(14)12-15-6-5-13/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeyDWFDXZQPHOTJBW-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.41
Rot. Bonds4

About 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide

2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide (PubChem CID 166001059) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide
PubChem CID166001059
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide
SMILESCc1cccc(C(=O)NOCCO)c1Br
InChIInChI=1S/C10H12BrNO3/c1-7-3-2-4-8(9(7)11)10(14)12-15-6-5-13/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeyDWFDXZQPHOTJBW-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
CID 107981467
4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 165437737
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103853593
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955
amino 2-bromo-3-methylbenzoate
CID 174814289
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
3-bromopropyl 2-bromo-3-methylbenzoate
CID 169490513

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide (CID 166001059) is 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide is Cc1cccc(C(=O)NOCCO)c1Br.
What is the InChIKey of 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide?
The InChIKey is DWFDXZQPHOTJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-7-3-2-4-8(9(7)11)10(14)12-15-6-5-13/h2-4,13H,5-6H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide?
2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide has a molecular weight of 274.11 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide is sourced from PubChem (CID 166001059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).