4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide

C22H20ClNO3 — CID 89311751

IUPAC4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide
SMILESCC(COc1ccc(C(=O)NO)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-15(14-27-21-12-8-19(9-13-21)22(25)24-26)16-2-4-17(5-3-16)18-6-10-20(23)11-7-18/h2-13,15,26H,14H2,1H3,(H,24,25)
InChIKeyDWJRFOGLEGEWAK-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.31
Rot. Bonds6

About 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide

4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide (PubChem CID 89311751) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide
PubChem CID89311751
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide
SMILESCC(COc1ccc(C(=O)NO)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-15(14-27-21-12-8-19(9-13-21)22(25)24-26)16-2-4-17(5-3-16)18-6-10-20(23)11-7-18/h2-13,15,26H,14H2,1H3,(H,24,25)
InChIKeyDWJRFOGLEGEWAK-UHFFFAOYSA-N
XLogP5.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide 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-chloro-N-hydroxybenzamide
CID 587178
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid
CID 66812487
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-ethoxybenzamide
CID 110004555
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 2965039

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide (CID 89311751) is 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide is CC(COc1ccc(C(=O)NO)cc1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide?
The InChIKey is DWJRFOGLEGEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-15(14-27-21-12-8-19(9-13-21)22(25)24-26)16-2-4-17(5-3-16)18-6-10-20(23)11-7-18/h2-13,15,26H,14H2,1H3,(H,24,25).
What are the key properties of 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide?
4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide has a molecular weight of 381.86 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide is sourced from PubChem (CID 89311751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).