N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C19H15IN2O2 — CID 3092708

IUPACN-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1cccc(I)c1
InChIInChI=1S/C19H15IN2O2/c1-24-18-11-15-7-3-2-6-14(15)10-17(18)19(23)22-21-12-13-5-4-8-16(20)9-13/h2-12H,1H3,(H,22,23)
InChIKeyYBIYIEUDCSATFR-UHFFFAOYSA-N
MW430.25 g/mol
LogP4.22
Rot. Bonds4

About N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 3092708) has the molecular formula C19H15IN2O2 and a molecular weight of 430.25 g/mol. Its IUPAC name is N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID3092708
Molecular FormulaC19H15IN2O2
Molecular Weight430.25 g/mol
Exact Mass430.02
IUPAC NameN-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1cccc(I)c1
InChIInChI=1S/C19H15IN2O2/c1-24-18-11-15-7-3-2-6-14(15)10-17(18)19(23)22-21-12-13-5-4-8-16(20)9-13/h2-12H,1H3,(H,22,23)
InChIKeyYBIYIEUDCSATFR-UHFFFAOYSA-N
XLogP4.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6280674
N-[(Z)-[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378459
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4675268
N-[(Z)-(3,5-diiodo-4-prop-2-ynoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377346
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
ethyl 2-[2,6-diiodo-4-[(Z)-[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126377347
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168382

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 3092708) is N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NN=Cc1cccc(I)c1.
What is the InChIKey of N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is YBIYIEUDCSATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN2O2/c1-24-18-11-15-7-3-2-6-14(15)10-17(18)19(23)22-21-12-13-5-4-8-16(20)9-13/h2-12H,1H3,(H,22,23).
What are the key properties of N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 430.25 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3092708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).