N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide

C11H14BrNO3 — CID 110678339

IUPACN-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide
SMILESCc1cc(NC(=O)COCCO)ccc1Br
InChIInChI=1S/C11H14BrNO3/c1-8-6-9(2-3-10(8)12)13-11(15)7-16-5-4-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyAHFAQGGCYUXPBG-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.70
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide (PubChem CID 110678339) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide
PubChem CID110678339
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide
SMILESCc1cc(NC(=O)COCCO)ccc1Br
InChIInChI=1S/C11H14BrNO3/c1-8-6-9(2-3-10(8)12)13-11(15)7-16-5-4-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
InChIKeyAHFAQGGCYUXPBG-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111436417
4-O-[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-O-ethyl but-2-enedioate
CID 5200911
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 17258289
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 4234915
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2430405
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
N-(4-bromo-3-methylphenyl)-3-cyanobutanamide
CID 82124267
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide (CID 110678339) is N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide is Cc1cc(NC(=O)COCCO)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide?
The InChIKey is AHFAQGGCYUXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-8-6-9(2-3-10(8)12)13-11(15)7-16-5-4-14/h2-3,6,14H,4-5,7H2,1H3,(H,13,15).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide has a molecular weight of 288.14 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide is sourced from PubChem (CID 110678339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).