6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C16H13Cl2NO3 — CID 163392597

IUPAC6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(-c3ccc(Cl)c(Cl)c3)ccc2O1
InChIInChI=1S/C16H13Cl2NO3/c17-12-4-1-10(8-13(12)18)9-2-5-14-11(7-9)3-6-15(22-14)16(20)19-21/h1-2,4-5,7-8,15,21H,3,6H2,(H,19,20)
InChIKeyMWMVXNVUFHCQPJ-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.86
Rot. Bonds2

About 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163392597) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163392597
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(-c3ccc(Cl)c(Cl)c3)ccc2O1
InChIInChI=1S/C16H13Cl2NO3/c17-12-4-1-10(8-13(12)18)9-2-5-14-11(7-9)3-6-15(22-14)16(20)19-21/h1-2,4-5,7-8,15,21H,3,6H2,(H,19,20)
InChIKeyMWMVXNVUFHCQPJ-UHFFFAOYSA-N
XLogP3.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 163392597) is 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NO)C1CCc2cc(-c3ccc(Cl)c(Cl)c3)ccc2O1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is MWMVXNVUFHCQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-12-4-1-10(8-13(12)18)9-2-5-14-11(7-9)3-6-15(22-14)16(20)19-21/h1-2,4-5,7-8,15,21H,3,6H2,(H,19,20).
What are the key properties of 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 338.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163392597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).