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

C10H12BrNO3 — CID 165437737

IUPAC4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NOCCO
InChIInChI=1S/C10H12BrNO3/c1-7-6-8(11)2-3-9(7)10(14)12-15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyPFEBGDICDHZTTN-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.41
Rot. Bonds4

About 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide

4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide (PubChem CID 165437737) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide
PubChem CID165437737
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NOCCO
InChIInChI=1S/C10H12BrNO3/c1-7-6-8(11)2-3-9(7)10(14)12-15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyPFEBGDICDHZTTN-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-[(4-bromo-2-methylbenzoyl)amino]oxyacetic acid
CID 63914052
2-bromo-N-(2-hydroxyethoxy)-3-methylbenzamide
CID 166001059
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
2-[(4-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 58368273
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
CID 120507967
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 79246429
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
methyl (2R)-2-[(4-bromo-2-methylbenzoyl)amino]-4,4,4-trifluorobutanoate
CID 100696495

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide (CID 165437737) is 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NOCCO.
What is the InChIKey of 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide?
The InChIKey is PFEBGDICDHZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-7-6-8(11)2-3-9(7)10(14)12-15-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide?
4-bromo-N-(2-hydroxyethoxy)-2-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 4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide is sourced from PubChem (CID 165437737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).