N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide

C24H23FN2O4 — CID 20576475

IUPACN-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2F)c(C)c1
InChIInChI=1S/C24H23FN2O4/c1-14-9-10-22(15(2)11-14)31-16(3)23(29)26-19-13-21(28)20(12-18(19)25)27-24(30)17-7-5-4-6-8-17/h4-13,16,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyIFONXTRXPZGNMB-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.81
Rot. Bonds6

About N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide

N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide (PubChem CID 20576475) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide
PubChem CID20576475
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC NameN-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2F)c(C)c1
InChIInChI=1S/C24H23FN2O4/c1-14-9-10-22(15(2)11-14)31-16(3)23(29)26-19-13-21(28)20(12-18(19)25)27-24(30)17-7-5-4-6-8-17/h4-13,16,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyIFONXTRXPZGNMB-UHFFFAOYSA-N
XLogP4.81
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide?
The IUPAC name of N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide (CID 20576475) is N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide?
The canonical SMILES for N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide is Cc1ccc(OC(C)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2F)c(C)c1.
What is the InChIKey of N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide?
The InChIKey is IFONXTRXPZGNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-14-9-10-22(15(2)11-14)31-16(3)23(29)26-19-13-21(28)20(12-18(19)25)27-24(30)17-7-5-4-6-8-17/h4-13,16,28H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide?
N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide has a molecular weight of 422.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide is sourced from PubChem (CID 20576475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).