4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide

C22H19ClN2O3 — CID 154165251

IUPAC4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide
SMILESC[C@H](c1ccc(Cl)cc1)N(O)C(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-14(15-10-12-20(23)13-11-15)25(28)22(27)19-8-4-17(5-9-19)16-2-6-18(7-3-16)21(24)26/h2-14,28H,1H3,(H2,24,26)/t14-/m1/s1
InChIKeyHFOPCALBSLMYLA-CQSZACIVSA-N
MW394.86 g/mol
LogP4.70
Rot. Bonds5

About 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide

4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide (PubChem CID 154165251) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide
PubChem CID154165251
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide
SMILESC[C@H](c1ccc(Cl)cc1)N(O)C(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-14(15-10-12-20(23)13-11-15)25(28)22(27)19-8-4-17(5-9-19)16-2-6-18(7-3-16)21(24)26/h2-14,28H,1H3,(H2,24,26)/t14-/m1/s1
InChIKeyHFOPCALBSLMYLA-CQSZACIVSA-N
XLogP4.70
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.70
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide?
The IUPAC name of 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide (CID 154165251) is 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide?
The canonical SMILES for 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide is C[C@H](c1ccc(Cl)cc1)N(O)C(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide?
The InChIKey is HFOPCALBSLMYLA-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-14(15-10-12-20(23)13-11-15)25(28)22(27)19-8-4-17(5-9-19)16-2-6-18(7-3-16)21(24)26/h2-14,28H,1H3,(H2,24,26)/t14-/m1/s1.
What are the key properties of 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide?
4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1R)-1-(4-chlorophenyl)ethyl]-hydroxycarbamoyl]phenyl]benzamide is sourced from PubChem (CID 154165251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).