2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

C14H17Cl2N3O4 — CID 46890623

IUPAC2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1c(Cl)cccc1Cl)NO
InChIInChI=1S/C14H17Cl2N3O4/c15-9-5-4-6-10(16)12(9)13(21)18-14(22)17-8-3-1-2-7-11(20)19-23/h4-6,23H,1-3,7-8H2,(H,19,20)(H2,17,18,21,22)
InChIKeyPCXGOLKJYZHJAB-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.50
Rot. Bonds7

About 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (PubChem CID 46890623) has the molecular formula C14H17Cl2N3O4 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
PubChem CID46890623
Molecular FormulaC14H17Cl2N3O4
Molecular Weight362.21 g/mol
Exact Mass361.06
IUPAC Name2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1c(Cl)cccc1Cl)NO
InChIInChI=1S/C14H17Cl2N3O4/c15-9-5-4-6-10(16)12(9)13(21)18-14(22)17-8-3-1-2-7-11(20)19-23/h4-6,23H,1-3,7-8H2,(H,19,20)(H2,17,18,21,22)
InChIKeyPCXGOLKJYZHJAB-UHFFFAOYSA-N
XLogP2.50
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (CID 46890623) is 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is O=C(CCCCCNC(=O)NC(=O)c1c(Cl)cccc1Cl)NO.
What is the InChIKey of 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The InChIKey is PCXGOLKJYZHJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O4/c15-9-5-4-6-10(16)12(9)13(21)18-14(22)17-8-3-1-2-7-11(20)19-23/h4-6,23H,1-3,7-8H2,(H,19,20)(H2,17,18,21,22).
What are the key properties of 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide has a molecular weight of 362.21 g/mol, XLogP of 2.50, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is sourced from PubChem (CID 46890623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).