4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide

C24H23BrN2O5 — CID 44517391

IUPAC4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C24H23BrN2O5/c1-31-22-14-16(4-12-21(22)32-15-17-2-8-19(25)9-3-17)5-13-23(28)26-20-10-6-18(7-11-20)24(29)27-30/h2-4,6-12,14,30H,5,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLNMFJPMUMFUKJT-UHFFFAOYSA-N
MW499.36 g/mol
LogP4.73
Rot. Bonds9

About 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide

4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide (PubChem CID 44517391) has the molecular formula C24H23BrN2O5 and a molecular weight of 499.36 g/mol. Its IUPAC name is 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
PubChem CID44517391
Molecular FormulaC24H23BrN2O5
Molecular Weight499.36 g/mol
Exact Mass498.08
IUPAC Name4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C24H23BrN2O5/c1-31-22-14-16(4-12-21(22)32-15-17-2-8-19(25)9-3-17)5-13-23(28)26-20-10-6-18(7-11-20)24(29)27-30/h2-4,6-12,14,30H,5,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLNMFJPMUMFUKJT-UHFFFAOYSA-N
XLogP4.73
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide (CID 44517391) is 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide is COc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
The InChIKey is LNMFJPMUMFUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O5/c1-31-22-14-16(4-12-21(22)32-15-17-2-8-19(25)9-3-17)5-13-23(28)26-20-10-6-18(7-11-20)24(29)27-30/h2-4,6-12,14,30H,5,13,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide has a molecular weight of 499.36 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide is sourced from PubChem (CID 44517391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).