N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C20H18IN3O2 — CID 1246283

IUPACN-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1I
InChIInChI=1S/C20H18IN3O2/c1-26-19-10-9-14(11-17(19)21)12-23-24-20(25)13-22-18-8-4-6-15-5-2-3-7-16(15)18/h2-12,22H,13H2,1H3,(H,24,25)
InChIKeyPBYFASFNMDQSEC-UHFFFAOYSA-N
MW459.29 g/mol
LogP4.02
Rot. Bonds6

About N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 1246283) has the molecular formula C20H18IN3O2 and a molecular weight of 459.29 g/mol. Its IUPAC name is N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID1246283
Molecular FormulaC20H18IN3O2
Molecular Weight459.29 g/mol
Exact Mass459.04
IUPAC NameN-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1I
InChIInChI=1S/C20H18IN3O2/c1-26-19-10-9-14(11-17(19)21)12-23-24-20(25)13-22-18-8-4-6-15-5-2-3-7-16(15)18/h2-12,22H,13H2,1H3,(H,24,25)
InChIKeyPBYFASFNMDQSEC-UHFFFAOYSA-N
XLogP4.02
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.29
LogP ≤ 54.02
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

N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3874837
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6897427
N-[(3,4-diethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1350700
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135641791
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
4-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4983931
2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 4629127
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 137122829

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 1246283) is N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is COc1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1I.
What is the InChIKey of N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is PBYFASFNMDQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18IN3O2/c1-26-19-10-9-14(11-17(19)21)12-23-24-20(25)13-22-18-8-4-6-15-5-2-3-7-16(15)18/h2-12,22H,13H2,1H3,(H,24,25).
What are the key properties of N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 459.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 1246283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).