N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide

C20H17IN2O2 — CID 126017232

IUPACN-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1
InChIInChI=1S/C20H17IN2O2/c1-14(24)23-22-12-15-7-9-20(19(21)11-15)25-13-16-6-8-17-4-2-3-5-18(17)10-16/h2-12H,13H2,1H3,(H,23,24)/b22-12-
InChIKeyCSACBMGKEOUJKS-UUYOSTAYSA-N
MW444.27 g/mol
LogP4.49
Rot. Bonds5

About N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide

N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide (PubChem CID 126017232) has the molecular formula C20H17IN2O2 and a molecular weight of 444.27 g/mol. Its IUPAC name is N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
PubChem CID126017232
Molecular FormulaC20H17IN2O2
Molecular Weight444.27 g/mol
Exact Mass444.03
IUPAC NameN-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1
InChIInChI=1S/C20H17IN2O2/c1-14(24)23-22-12-15-7-9-20(19(21)11-15)25-13-16-6-8-17-4-2-3-5-18(17)10-16/h2-12H,13H2,1H3,(H,23,24)/b22-12-
InChIKeyCSACBMGKEOUJKS-UUYOSTAYSA-N
XLogP4.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.49
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

1-[[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3636261
4-chloro-N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126198104
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3272853
N-[(Z)-[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378459
5-bromo-N-[(Z)-[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126015678
N-[(E)-[3-ethoxy-5-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126239386
N-[(E)-[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126036355
N-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3926735
N-[(Z)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126018460
1-ethyl-3-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 5027216
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126250893

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide (CID 126017232) is N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide is CC(=O)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1.
What is the InChIKey of N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is CSACBMGKEOUJKS-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H17IN2O2/c1-14(24)23-22-12-15-7-9-20(19(21)11-15)25-13-16-6-8-17-4-2-3-5-18(17)10-16/h2-12H,13H2,1H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide?
N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 444.27 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 126017232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).