4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide

C12H17ClN2O2 — CID 54937560

IUPAC4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
SMILESNC(=O)CCCNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c13-10-5-3-9(4-6-10)11(16)8-15-7-1-2-12(14)17/h3-6,11,15-16H,1-2,7-8H2,(H2,14,17)
InChIKeyVICIQEBWTUHDEB-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.23
Rot. Bonds7

About 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide

4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide (PubChem CID 54937560) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
PubChem CID54937560
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
SMILESNC(=O)CCCNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2/c13-10-5-3-9(4-6-10)11(16)8-15-7-1-2-12(14)17/h3-6,11,15-16H,1-2,7-8H2,(H2,14,17)
InChIKeyVICIQEBWTUHDEB-UHFFFAOYSA-N
XLogP1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide 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

4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072
4-[1-(4-chlorophenyl)butylamino]butanamide
CID 60863570
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide?
The IUPAC name of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide (CID 54937560) is 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide is NC(=O)CCCNCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide?
The InChIKey is VICIQEBWTUHDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c13-10-5-3-9(4-6-10)11(16)8-15-7-1-2-12(14)17/h3-6,11,15-16H,1-2,7-8H2,(H2,14,17).
What are the key properties of 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide?
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide has a molecular weight of 256.73 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide is sourced from PubChem (CID 54937560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).