3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

C24H19N3O4 — CID 6302659

IUPAC3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(CNc1cccc2ccccc12)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1
InChIInChI=1S/C24H19N3O4/c28-23(15-25-21-10-4-6-16-5-1-2-9-20(16)21)27-26-14-19-11-12-22(31-19)17-7-3-8-18(13-17)24(29)30/h1-14,25H,15H2,(H,27,28)(H,29,30)/b26-14-
InChIKeyJWXWHLFRWCYYIR-WGARJPEWSA-N
MW413.43 g/mol
LogP4.36
Rot. Bonds7

About 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 6302659) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID6302659
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(CNc1cccc2ccccc12)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1
InChIInChI=1S/C24H19N3O4/c28-23(15-25-21-10-4-6-16-5-1-2-9-20(16)21)27-26-14-19-11-12-22(31-19)17-7-3-8-18(13-17)24(29)30/h1-14,25H,15H2,(H,27,28)(H,29,30)/b26-14-
InChIKeyJWXWHLFRWCYYIR-WGARJPEWSA-N
XLogP4.36
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 1104271
3-[5-[(Z)-[[2-(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 93478300
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 51394008
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875
2-(2-methylanilino)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 56692958
3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
3-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368944
N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 41177653
3-[5-[(E)-[(3-chloro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5349799
3-[5-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3939353
3-[5-[(E)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 19577680
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 50930000

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 6302659) is 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(CNc1cccc2ccccc12)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1.
What is the InChIKey of 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is JWXWHLFRWCYYIR-WGARJPEWSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-23(15-25-21-10-4-6-16-5-1-2-9-20(16)21)27-26-14-19-11-12-22(31-19)17-7-3-8-18(13-17)24(29)30/h1-14,25H,15H2,(H,27,28)(H,29,30)/b26-14-.
What are the key properties of 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 413.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 6302659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).