N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide

C20H15ClN2O4 — CID 23306451

IUPACN-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl)c1ccco1
InChIInChI=1S/C20H15ClN2O4/c21-13-9-12(5-6-14(13)22-18(24)15-2-1-7-27-15)23-19(25)16-10-3-4-11(8-10)17(16)20(23)26/h1-7,9-11,16-17H,8H2,(H,22,24)/t10-,11-,16-,17-/m0/s1
InChIKeyFZQIESONFDZHJA-BHWMQLMCSA-N
MW382.80 g/mol
LogP3.50
Rot. Bonds3

About N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide

N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide (PubChem CID 23306451) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide
PubChem CID23306451
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC NameN-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl)c1ccco1
InChIInChI=1S/C20H15ClN2O4/c21-13-9-12(5-6-14(13)22-18(24)15-2-1-7-27-15)23-19(25)16-10-3-4-11(8-10)17(16)20(23)26/h1-7,9-11,16-17H,8H2,(H,22,24)/t10-,11-,16-,17-/m0/s1
InChIKeyFZQIESONFDZHJA-BHWMQLMCSA-N
XLogP3.50
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]furan-2-carboxamide
CID 2906713
N-[2-chloro-4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl]furan-2-carboxamide
CID 1136457
N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
CID 50882067
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
CID 91678008
N-(2-chlorophenyl)-4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7377451
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
(1R,2R,6S,7R)-4-[3-chloro-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98407941
(1R,2S,6R,7S)-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7120920
N-(2,4-dichlorophenyl)-2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]acetamide
CID 66491031
N-[2-chloro-5-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]acetamide
CID 22575108
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3519498
[4-chloro-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl] furan-2-carboxylate
CID 98280068

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide (CID 23306451) is N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl)c1ccco1.
What is the InChIKey of N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide?
The InChIKey is FZQIESONFDZHJA-BHWMQLMCSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-13-9-12(5-6-14(13)22-18(24)15-2-1-7-27-15)23-19(25)16-10-3-4-11(8-10)17(16)20(23)26/h1-7,9-11,16-17H,8H2,(H,22,24)/t10-,11-,16-,17-/m0/s1.
What are the key properties of N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide?
N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide has a molecular weight of 382.80 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 23306451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).