4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide

C28H24Cl4N2O3 — CID 10099693

IUPAC4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide
SMILESCC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CCCCl
InChIInChI=1S/C28H24Cl4N2O3/c1-28(2,3)26(36)25-24(33-22(35)5-4-12-29)20-14-19(15-6-8-16(30)9-7-15)23(34-27(20)37-25)18-11-10-17(31)13-21(18)32/h6-11,13-14H,4-5,12H2,1-3H3,(H,33,35)
InChIKeyVDKABYCIRNCYPW-UHFFFAOYSA-N
MW578.32 g/mol
LogP9.31
Rot. Bonds7

About 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide

4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide (PubChem CID 10099693) has the molecular formula C28H24Cl4N2O3 and a molecular weight of 578.32 g/mol. Its IUPAC name is 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide
PubChem CID10099693
Molecular FormulaC28H24Cl4N2O3
Molecular Weight578.32 g/mol
Exact Mass576.05
IUPAC Name4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide
SMILESCC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CCCCl
InChIInChI=1S/C28H24Cl4N2O3/c1-28(2,3)26(36)25-24(33-22(35)5-4-12-29)20-14-19(15-6-8-16(30)9-7-15)23(34-27(20)37-25)18-11-10-17(31)13-21(18)32/h6-11,13-14H,4-5,12H2,1-3H3,(H,33,35)
InChIKeyVDKABYCIRNCYPW-UHFFFAOYSA-N
XLogP9.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.32
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide?
The IUPAC name of 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide (CID 10099693) is 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide?
The canonical SMILES for 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide is CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide?
The InChIKey is VDKABYCIRNCYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl4N2O3/c1-28(2,3)26(36)25-24(33-22(35)5-4-12-29)20-14-19(15-6-8-16(30)9-7-15)23(34-27(20)37-25)18-11-10-17(31)13-21(18)32/h6-11,13-14H,4-5,12H2,1-3H3,(H,33,35).
What are the key properties of 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide?
4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide has a molecular weight of 578.32 g/mol, XLogP of 9.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 10099693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).