N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide

C26H20Cl3N3O3 — CID 10482067

IUPACN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCC2)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H20Cl3N3O3/c1-14(33)30-23-20-13-19(15-4-6-16(27)7-5-15)22(18-9-8-17(28)12-21(18)29)31-25(20)35-24(23)26(34)32-10-2-3-11-32/h4-9,12-13H,2-3,10-11H2,1H3,(H,30,33)
InChIKeyUEVLLNWLYUZVHG-UHFFFAOYSA-N
MW528.82 g/mol
LogP7.32
Rot. Bonds4

About N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide

N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 10482067) has the molecular formula C26H20Cl3N3O3 and a molecular weight of 528.82 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
PubChem CID10482067
Molecular FormulaC26H20Cl3N3O3
Molecular Weight528.82 g/mol
Exact Mass527.06
IUPAC NameN-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCC2)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H20Cl3N3O3/c1-14(33)30-23-20-13-19(15-4-6-16(27)7-5-15)22(18-9-8-17(28)12-21(18)29)31-25(20)35-24(23)26(34)32-10-2-3-11-32/h4-9,12-13H,2-3,10-11H2,1H3,(H,30,33)
InChIKeyUEVLLNWLYUZVHG-UHFFFAOYSA-N
XLogP7.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.82
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 10028229
N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 59830454
1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
CID 10391329
4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide
CID 10099693
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
CID 10433670
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
CID 10254284
N-[2-acetyl-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide
CID 10348361
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445
4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 11432721
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-N-methylmethanesulfonamide
CID 71160789
N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
CID 70947730
1-[3-acetyl-6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl]-2-methylpropan-1-one
CID 59830485

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide (CID 10482067) is N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide is CC(=O)Nc1c(C(=O)N2CCCC2)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is UEVLLNWLYUZVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3N3O3/c1-14(33)30-23-20-13-19(15-4-6-16(27)7-5-15)22(18-9-8-17(28)12-21(18)29)31-25(20)35-24(23)26(34)32-10-2-3-11-32/h4-9,12-13H,2-3,10-11H2,1H3,(H,30,33).
What are the key properties of N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide?
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 528.82 g/mol, XLogP of 7.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 10482067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).