N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide

C23H18ClN3O5 — CID 55811982

IUPACN-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H18ClN3O5/c24-14-9-10-17(18(13-14)26-21(29)19-7-4-12-32-19)25-20(28)8-3-11-27-22(30)15-5-1-2-6-16(15)23(27)31/h1-2,4-7,9-10,12-13H,3,8,11H2,(H,25,28)(H,26,29)
InChIKeyPUDBUCQWFMDGIE-UHFFFAOYSA-N
MW451.87 g/mol
LogP4.20
Rot. Bonds7

About N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide (PubChem CID 55811982) has the molecular formula C23H18ClN3O5 and a molecular weight of 451.87 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
PubChem CID55811982
Molecular FormulaC23H18ClN3O5
Molecular Weight451.87 g/mol
Exact Mass451.09
IUPAC NameN-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H18ClN3O5/c24-14-9-10-17(18(13-14)26-21(29)19-7-4-12-32-19)25-20(28)8-3-11-27-22(30)15-5-1-2-6-16(15)23(27)31/h1-2,4-7,9-10,12-13H,3,8,11H2,(H,25,28)(H,26,29)
InChIKeyPUDBUCQWFMDGIE-UHFFFAOYSA-N
XLogP4.20
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.87
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 78778183
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062392
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 7914697
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[5-chloro-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 86944385

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide (CID 55811982) is N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is PUDBUCQWFMDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O5/c24-14-9-10-17(18(13-14)26-21(29)19-7-4-12-32-19)25-20(28)8-3-11-27-22(30)15-5-1-2-6-16(15)23(27)31/h1-2,4-7,9-10,12-13H,3,8,11H2,(H,25,28)(H,26,29).
What are the key properties of N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 451.87 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55811982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).