5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide

C21H14ClNO5S — CID 175508448

IUPAC5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(COc2c(-c3ccccc3)oc3ccc(Cl)cc3c2=O)s1
InChIInChI=1S/C21H14ClNO5S/c22-13-6-8-16-15(10-13)18(24)20(19(28-16)12-4-2-1-3-5-12)27-11-14-7-9-17(29-14)21(25)23-26/h1-10,26H,11H2,(H,23,25)
InChIKeyQAFAXGCHLVTBBK-UHFFFAOYSA-N
MW427.87 g/mol
LogP4.87
Rot. Bonds5

About 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide

5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide (PubChem CID 175508448) has the molecular formula C21H14ClNO5S and a molecular weight of 427.87 g/mol. Its IUPAC name is 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
PubChem CID175508448
Molecular FormulaC21H14ClNO5S
Molecular Weight427.87 g/mol
Exact Mass427.03
IUPAC Name5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
SMILESO=C(NO)c1ccc(COc2c(-c3ccccc3)oc3ccc(Cl)cc3c2=O)s1
InChIInChI=1S/C21H14ClNO5S/c22-13-6-8-16-15(10-13)18(24)20(19(28-16)12-4-2-1-3-5-12)27-11-14-7-9-17(29-14)21(25)23-26/h1-10,26H,11H2,(H,23,25)
InChIKeyQAFAXGCHLVTBBK-UHFFFAOYSA-N
XLogP4.87
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
CID 7746637
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide (CID 175508448) is 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide is O=C(NO)c1ccc(COc2c(-c3ccccc3)oc3ccc(Cl)cc3c2=O)s1.
What is the InChIKey of 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is QAFAXGCHLVTBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO5S/c22-13-6-8-16-15(10-13)18(24)20(19(28-16)12-4-2-1-3-5-12)27-11-14-7-9-17(29-14)21(25)23-26/h1-10,26H,11H2,(H,23,25).
What are the key properties of 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide?
5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 427.87 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 175508448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).