N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide

C11H11BrN2O2 — CID 79200804

IUPACN-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide
SMILESN#Cc1ccc(NC(=O)CCCO)c(Br)c1
InChIInChI=1S/C11H11BrN2O2/c12-9-6-8(7-13)3-4-10(9)14-11(16)2-1-5-15/h3-4,6,15H,1-2,5H2,(H,14,16)
InChIKeyLCZWJMYDYCJUCS-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.03
Rot. Bonds4

About N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide

N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide (PubChem CID 79200804) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide
PubChem CID79200804
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC NameN-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide
SMILESN#Cc1ccc(NC(=O)CCCO)c(Br)c1
InChIInChI=1S/C11H11BrN2O2/c12-9-6-8(7-13)3-4-10(9)14-11(16)2-1-5-15/h3-4,6,15H,1-2,5H2,(H,14,16)
InChIKeyLCZWJMYDYCJUCS-UHFFFAOYSA-N
XLogP2.03
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide 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-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
N-(2-bromo-4-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 60852002
ethyl 4-(2-bromo-4-cyanoanilino)-4-oxobutanoate
CID 63118915
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
CID 64685034
4-chloro-N-(4-cyano-2-methylphenyl)butanamide
CID 25155549
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
1-[[(2-bromo-4-cyanophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107792131
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
2-(2-bromo-4-cyanoanilino)acetamide
CID 82797706
2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
CID 107789540

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide (CID 79200804) is N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide is N#Cc1ccc(NC(=O)CCCO)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide?
The InChIKey is LCZWJMYDYCJUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-9-6-8(7-13)3-4-10(9)14-11(16)2-1-5-15/h3-4,6,15H,1-2,5H2,(H,14,16).
What are the key properties of N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide?
N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide has a molecular weight of 283.12 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide is sourced from PubChem (CID 79200804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).