5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide

C24H39BrN2O3 — CID 20554712

IUPAC5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide
SMILESO=Cc1ccc(NCCCCCCCCCCCCCCCCBr)cc1C(=O)NO
InChIInChI=1S/C24H39BrN2O3/c25-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-26-22-16-15-21(20-28)23(19-22)24(29)27-30/h15-16,19-20,26,30H,1-14,17-18H2,(H,27,29)
InChIKeyBVEVLYNHEZKNRM-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.89
Rot. Bonds19

About 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide

5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide (PubChem CID 20554712) has the molecular formula C24H39BrN2O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide.

Molecular Properties

Compound Name5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide
PubChem CID20554712
Molecular FormulaC24H39BrN2O3
Molecular Weight483.49 g/mol
Exact Mass482.21
IUPAC Name5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide
SMILESO=Cc1ccc(NCCCCCCCCCCCCCCCCBr)cc1C(=O)NO
InChIInChI=1S/C24H39BrN2O3/c25-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-26-22-16-15-21(20-28)23(19-22)24(29)27-30/h15-16,19-20,26,30H,1-14,17-18H2,(H,27,29)
InChIKeyBVEVLYNHEZKNRM-UHFFFAOYSA-N
XLogP6.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide?
The IUPAC name of 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide (CID 20554712) is 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide.
What is the SMILES notation for 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide?
The canonical SMILES for 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide is O=Cc1ccc(NCCCCCCCCCCCCCCCCBr)cc1C(=O)NO.
What is the InChIKey of 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide?
The InChIKey is BVEVLYNHEZKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39BrN2O3/c25-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-26-22-16-15-21(20-28)23(19-22)24(29)27-30/h15-16,19-20,26,30H,1-14,17-18H2,(H,27,29).
What are the key properties of 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide?
5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide has a molecular weight of 483.49 g/mol, XLogP of 6.89, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(16-bromohexadecylamino)-2-formyl-N-hydroxybenzamide is sourced from PubChem (CID 20554712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).