N-(2-bromophenyl)-N'-hydroxyoctanediamide

C14H19BrN2O3 — CID 46205437

IUPACN-(2-bromophenyl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1Br)NO
InChIInChI=1S/C14H19BrN2O3/c15-11-7-5-6-8-12(11)16-13(18)9-3-1-2-4-10-14(19)17-20/h5-8,20H,1-4,9-10H2,(H,16,18)(H,17,19)
InChIKeyRWXGKHIQWJSTQO-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.23
Rot. Bonds8

About N-(2-bromophenyl)-N'-hydroxyoctanediamide

N-(2-bromophenyl)-N'-hydroxyoctanediamide (PubChem CID 46205437) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-hydroxyoctanediamide
PubChem CID46205437
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(2-bromophenyl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1Br)NO
InChIInChI=1S/C14H19BrN2O3/c15-11-7-5-6-8-12(11)16-13(18)9-3-1-2-4-10-14(19)17-20/h5-8,20H,1-4,9-10H2,(H,16,18)(H,17,19)
InChIKeyRWXGKHIQWJSTQO-UHFFFAOYSA-N
XLogP3.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-(2-bromophenyl)-N'-hydroxyoctanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-hydroxyoctanediamide (CID 46205437) is N-(2-bromophenyl)-N'-hydroxyoctanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-hydroxyoctanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)Nc1ccccc1Br)NO.
What is the InChIKey of N-(2-bromophenyl)-N'-hydroxyoctanediamide?
The InChIKey is RWXGKHIQWJSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-11-7-5-6-8-12(11)16-13(18)9-3-1-2-4-10-14(19)17-20/h5-8,20H,1-4,9-10H2,(H,16,18)(H,17,19).
What are the key properties of N-(2-bromophenyl)-N'-hydroxyoctanediamide?
N-(2-bromophenyl)-N'-hydroxyoctanediamide has a molecular weight of 343.22 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-hydroxyoctanediamide is sourced from PubChem (CID 46205437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).