N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide

C20H16IN3O4 — CID 3368477

IUPACN-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1c(I)cc(C=NNC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16IN3O4/c1-28-20-17(21)9-13(10-18(20)24(26)27)12-22-23-19(25)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyNSMYJDCSXXJFMJ-UHFFFAOYSA-N
MW489.27 g/mol
LogP4.05
Rot. Bonds6

About N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 3368477) has the molecular formula C20H16IN3O4 and a molecular weight of 489.27 g/mol. Its IUPAC name is N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID3368477
Molecular FormulaC20H16IN3O4
Molecular Weight489.27 g/mol
Exact Mass489.02
IUPAC NameN-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1c(I)cc(C=NNC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16IN3O4/c1-28-20-17(21)9-13(10-18(20)24(26)27)12-22-23-19(25)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyNSMYJDCSXXJFMJ-UHFFFAOYSA-N
XLogP4.05
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 135827937
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6281145
N-[(E)-[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126375610
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3413391
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126262498
N-[(E)-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126378589
methyl 2-[2-ethoxy-6-iodo-4-[(E)-[[2-(2-nitrophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126375860
N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126378618
N-[(E)-[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126376475
N-[(E)-(3-bromo-5-chloro-4-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124549000
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515581

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 3368477) is N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is COc1c(I)cc(C=NNC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is NSMYJDCSXXJFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN3O4/c1-28-20-17(21)9-13(10-18(20)24(26)27)12-22-23-19(25)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-10,12H,11H2,1H3,(H,23,25).
What are the key properties of N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 489.27 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 3368477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).