N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C17H14IN3O2 — CID 51394008

IUPACN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C\c1ccc(I)o1
InChIInChI=1S/C17H14IN3O2/c18-16-9-8-13(23-16)10-20-21-17(22)11-19-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H,21,22)/b20-10-
InChIKeyDYAZTMGQGMCNLK-JMIUGGIZSA-N
MW419.22 g/mol
LogP3.60
Rot. Bonds5

About N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 51394008) has the molecular formula C17H14IN3O2 and a molecular weight of 419.22 g/mol. Its IUPAC name is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID51394008
Molecular FormulaC17H14IN3O2
Molecular Weight419.22 g/mol
Exact Mass419.01
IUPAC NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C\c1ccc(I)o1
InChIInChI=1S/C17H14IN3O2/c18-16-9-8-13(23-16)10-20-21-17(22)11-19-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H,21,22)/b20-10-
InChIKeyDYAZTMGQGMCNLK-JMIUGGIZSA-N
XLogP3.60
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 6302659
N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 41177653
N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
4-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4983931
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1246283
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6045668
(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 94833727
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135420036
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 44725851
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3975909

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 51394008) is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is O=C(CNc1cccc2ccccc12)N/N=C\c1ccc(I)o1.
What is the InChIKey of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is DYAZTMGQGMCNLK-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H14IN3O2/c18-16-9-8-13(23-16)10-20-21-17(22)11-19-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 419.22 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 51394008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).