5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide

C18H19ClN2O3 — CID 1203722

IUPAC5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,3)17(24)21-13-7-5-12(6-8-13)20-16(23)14-10-11(19)4-9-15(14)22/h4-10,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyAVZFIBYJGWVKIB-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.28
Rot. Bonds3

About 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide

5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide (PubChem CID 1203722) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
PubChem CID1203722
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,3)17(24)21-13-7-5-12(6-8-13)20-16(23)14-10-11(19)4-9-15(14)22/h4-10,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyAVZFIBYJGWVKIB-UHFFFAOYSA-N
XLogP4.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
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5-chloro-N-(2-chloropyrimidin-5-yl)-2-hydroxybenzamide
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CID 79767581
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CID 47317877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide (CID 1203722) is 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide is CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide?
The InChIKey is AVZFIBYJGWVKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(2,3)17(24)21-13-7-5-12(6-8-13)20-16(23)14-10-11(19)4-9-15(14)22/h4-10,22H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide?
5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 1203722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).