6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride

C24H22ClN3O3 — CID 162325916

IUPAC6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride
SMILESCOCc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C=NN)cc23)co1.Cl
InChIInChI=1S/C24H21N3O3.ClH/c1-29-15-21-11-19(14-30-21)23-12-18(24(28)27-20-5-3-2-4-6-20)10-17-8-7-16(13-26-25)9-22(17)23;/h2-14H,15,25H2,1H3,(H,27,28);1H
InChIKeySOVNEEOMANCNIW-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.21
Rot. Bonds6

About 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride

6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride (PubChem CID 162325916) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride
PubChem CID162325916
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride
SMILESCOCc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C=NN)cc23)co1.Cl
InChIInChI=1S/C24H21N3O3.ClH/c1-29-15-21-11-19(14-30-21)23-12-18(24(28)27-20-5-3-2-4-6-20)10-17-8-7-16(13-26-25)9-22(17)23;/h2-14H,15,25H2,1H3,(H,27,28);1H
InChIKeySOVNEEOMANCNIW-UHFFFAOYSA-N
XLogP5.21
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

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6-carbamimidoyl-4-(5-methylsulfanylfuran-3-yl)-N-phenylnaphthalene-2-carboxamide
CID 10225096
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2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
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CID 10226973

Frequently Asked Questions

What is the IUPAC name of 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride (CID 162325916) is 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride is COCc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C=NN)cc23)co1.Cl.
What is the InChIKey of 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride?
The InChIKey is SOVNEEOMANCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3.ClH/c1-29-15-21-11-19(14-30-21)23-12-18(24(28)27-20-5-3-2-4-6-20)10-17-8-7-16(13-26-25)9-22(17)23;/h2-14H,15,25H2,1H3,(H,27,28);1H.
What are the key properties of 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride?
6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride has a molecular weight of 435.91 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanehydrazonoyl-4-[5-(methoxymethyl)furan-3-yl]-N-phenylnaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 162325916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).