N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide

C19H18ClNO5 — CID 21000703

IUPACN-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
SMILESCCC(C)NC(=O)COc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H18ClNO5/c1-3-11(2)21-16(22)10-25-19-17(23)13-9-12(20)6-7-14(13)26-18(19)15-5-4-8-24-15/h4-9,11H,3,10H2,1-2H3,(H,21,22)
InChIKeyWAABOMXWPFBXCO-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.00
Rot. Bonds6

About N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide

N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide (PubChem CID 21000703) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
PubChem CID21000703
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC NameN-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
SMILESCCC(C)NC(=O)COc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H18ClNO5/c1-3-11(2)21-16(22)10-25-19-17(23)13-9-12(20)6-7-14(13)26-18(19)15-5-4-8-24-15/h4-9,11H,3,10H2,1-2H3,(H,21,22)
InChIKeyWAABOMXWPFBXCO-UHFFFAOYSA-N
XLogP4.00
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
CID 101197027
methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate
CID 21000699
6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide?
The IUPAC name of N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide (CID 21000703) is N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide.
What is the SMILES notation for N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide?
The canonical SMILES for N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide is CCC(C)NC(=O)COc1c(-c2ccco2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide?
The InChIKey is WAABOMXWPFBXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-3-11(2)21-16(22)10-25-19-17(23)13-9-12(20)6-7-14(13)26-18(19)15-5-4-8-24-15/h4-9,11H,3,10H2,1-2H3,(H,21,22).
What are the key properties of N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide?
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 375.81 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 21000703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).