5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide

C17H18ClNO2 — CID 58663049

IUPAC5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(-c2ccc(Cl)c(C(=O)NO)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(2,3)13-7-4-11(5-8-13)12-6-9-15(18)14(10-12)16(20)19-21/h4-10,21H,1-3H3,(H,19,20)
InChIKeyPCNDVHUCDLBRGJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.42
Rot. Bonds2

About 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide

5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide (PubChem CID 58663049) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide
PubChem CID58663049
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(-c2ccc(Cl)c(C(=O)NO)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-17(2,3)13-7-4-11(5-8-13)12-6-9-15(18)14(10-12)16(20)19-21/h4-10,21H,1-3H3,(H,19,20)
InChIKeyPCNDVHUCDLBRGJ-UHFFFAOYSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide?
The IUPAC name of 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide (CID 58663049) is 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide is CC(C)(C)c1ccc(-c2ccc(Cl)c(C(=O)NO)c2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide?
The InChIKey is PCNDVHUCDLBRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2,3)13-7-4-11(5-8-13)12-6-9-15(18)14(10-12)16(20)19-21/h4-10,21H,1-3H3,(H,19,20).
What are the key properties of 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide?
5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-chloro-N-hydroxybenzamide is sourced from PubChem (CID 58663049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).