N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide

C15H22BrNO2 — CID 114168757

IUPACN-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22BrNO2/c1-3-11(4-2)13(16)10-17-15(19)9-12-7-5-6-8-14(12)18/h5-8,11,13,18H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyXRKOUJTWTDKJPA-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.25
Rot. Bonds7

About N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide

N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 114168757) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID114168757
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
SMILESCCC(CC)C(Br)CNC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22BrNO2/c1-3-11(4-2)13(16)10-17-15(19)9-12-7-5-6-8-14(12)18/h5-8,11,13,18H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyXRKOUJTWTDKJPA-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 106287114
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
N-(2-bromo-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106288520
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
methyl 2-chloro-3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 103492759
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide (CID 114168757) is N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide is CCC(CC)C(Br)CNC(=O)Cc1ccccc1O.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is XRKOUJTWTDKJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-11(4-2)13(16)10-17-15(19)9-12-7-5-6-8-14(12)18/h5-8,11,13,18H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide?
N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 328.25 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 114168757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).