ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate

C25H19Cl2N3O4 — CID 137155677

IUPACethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N\NC(=O)c2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C25H19Cl2N3O4/c1-2-33-25(32)21-22(27)20(34-24(21)29-19-11-9-18(26)10-12-19)14-28-30-23(31)17-8-7-15-5-3-4-6-16(15)13-17/h3-14,29H,2H2,1H3,(H,30,31)/b28-14-
InChIKeyKWEIDBDLCFLWCM-MUXKCCDJSA-N
MW496.35 g/mol
LogP6.42
Rot. Bonds7

About ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate

ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate (PubChem CID 137155677) has the molecular formula C25H19Cl2N3O4 and a molecular weight of 496.35 g/mol. Its IUPAC name is ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate
PubChem CID137155677
Molecular FormulaC25H19Cl2N3O4
Molecular Weight496.35 g/mol
Exact Mass495.08
IUPAC Nameethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N\NC(=O)c2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C25H19Cl2N3O4/c1-2-33-25(32)21-22(27)20(34-24(21)29-19-11-9-18(26)10-12-19)14-28-30-23(31)17-8-7-15-5-3-4-6-16(15)13-17/h3-14,29H,2H2,1H3,(H,30,31)/b28-14-
InChIKeyKWEIDBDLCFLWCM-MUXKCCDJSA-N
XLogP6.42
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.35
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate with MolForge

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Related Compounds

ethyl 4-chloro-2-(3-chloroanilino)-5-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]furan-3-carboxylate
CID 137155810
ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]furan-3-carboxylate
CID 137071968
ethyl 4-chloro-2-(4-chloroanilino)-5-[(E)-(phenylhydrazinylidene)methyl]furan-3-carboxylate
CID 137071645
ethyl 4-chloro-2-(3-chloroanilino)-5-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]furan-3-carboxylate
CID 137071810
ethyl 4-chloro-2-(3-chloroanilino)-5-[(Z)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]furan-3-carboxylate
CID 137071797
ethyl 4-chloro-2-(3-chloroanilino)-5-[(Z)-[(4-methylphenyl)carbamoylhydrazinylidene]methyl]furan-3-carboxylate
CID 137071922
ethyl 4-chloro-2-(3-chloroanilino)-5-[(Z)-[(4-ethoxyphenyl)carbamoylhydrazinylidene]methyl]furan-3-carboxylate
CID 137071742
ethyl 5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135710471
[1-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 6091808
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
N-[(2,4,5-trifluorophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6736199
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate (CID 137155677) is ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate is CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N\NC(=O)c2ccc3ccccc3c2)c1Cl.
What is the InChIKey of ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate?
The InChIKey is KWEIDBDLCFLWCM-MUXKCCDJSA-N. The full InChI is InChI=1S/C25H19Cl2N3O4/c1-2-33-25(32)21-22(27)20(34-24(21)29-19-11-9-18(26)10-12-19)14-28-30-23(31)17-8-7-15-5-3-4-6-16(15)13-17/h3-14,29H,2H2,1H3,(H,30,31)/b28-14-.
What are the key properties of ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate?
ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate has a molecular weight of 496.35 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(4-chloroanilino)-5-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]furan-3-carboxylate is sourced from PubChem (CID 137155677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).