N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide

C25H24ClN3O4 — CID 162385719

IUPACN-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide
SMILESCCOCCn1c(Cl)c(/C=N/NC(=O)c2ccc(-c3ccccc3)o2)c2cc(OC)ccc21
InChIInChI=1S/C25H24ClN3O4/c1-3-32-14-13-29-21-10-9-18(31-2)15-19(21)20(24(29)26)16-27-28-25(30)23-12-11-22(33-23)17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,28,30)/b27-16+
InChIKeyMILAOPGAXZQTPB-JVWAILMASA-N
MW465.94 g/mol
LogP5.36
Rot. Bonds9

About N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide

N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide (PubChem CID 162385719) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide
PubChem CID162385719
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide
SMILESCCOCCn1c(Cl)c(/C=N/NC(=O)c2ccc(-c3ccccc3)o2)c2cc(OC)ccc21
InChIInChI=1S/C25H24ClN3O4/c1-3-32-14-13-29-21-10-9-18(31-2)15-19(21)20(24(29)26)16-27-28-25(30)23-12-11-22(33-23)17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,28,30)/b27-16+
InChIKeyMILAOPGAXZQTPB-JVWAILMASA-N
XLogP5.36
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 162385722
(E)-3-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]prop-2-enoic acid
CID 82268905
(E)-3-(2-chloro-5-methoxy-1-propylindol-3-yl)-2-methylprop-2-enoic acid
CID 82268884
5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide
CID 174239538
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 137166777
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 135733998
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide
CID 53327660
N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3550223

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide?
The IUPAC name of N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide (CID 162385719) is N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide is CCOCCn1c(Cl)c(/C=N/NC(=O)c2ccc(-c3ccccc3)o2)c2cc(OC)ccc21.
What is the InChIKey of N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide?
The InChIKey is MILAOPGAXZQTPB-JVWAILMASA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-3-32-14-13-29-21-10-9-18(31-2)15-19(21)20(24(29)26)16-27-28-25(30)23-12-11-22(33-23)17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,28,30)/b27-16+.
What are the key properties of N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide?
N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-chloro-1-(2-ethoxyethyl)-5-methoxyindol-3-yl]methylideneamino]-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 162385719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).