N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide

C23H21IN2O3 — CID 126368928

IUPACN-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C23H21IN2O3/c1-16-8-10-19(11-9-16)23(27)26-25-14-18-12-20(24)22(21(13-18)28-2)29-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-
InChIKeyNFARMEPZRLXDMG-QFEZKATASA-N
MW500.34 g/mol
LogP4.95
Rot. Bonds7

About N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide

N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 126368928) has the molecular formula C23H21IN2O3 and a molecular weight of 500.34 g/mol. Its IUPAC name is N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID126368928
Molecular FormulaC23H21IN2O3
Molecular Weight500.34 g/mol
Exact Mass500.06
IUPAC NameN-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C23H21IN2O3/c1-16-8-10-19(11-9-16)23(27)26-25-14-18-12-20(24)22(21(13-18)28-2)29-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-
InChIKeyNFARMEPZRLXDMG-QFEZKATASA-N
XLogP4.95
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
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-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126365368
N-[(E)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126210731
N-[(Z)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126018460
N-[(E)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
CID 21380134
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126047792
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126197554
N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657766
4-[[2,6-diiodo-4-[(Z)-[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126008013
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126329427
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 92851172

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide (CID 126368928) is N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide is COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is NFARMEPZRLXDMG-QFEZKATASA-N. The full InChI is InChI=1S/C23H21IN2O3/c1-16-8-10-19(11-9-16)23(27)26-25-14-18-12-20(24)22(21(13-18)28-2)29-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,26,27)/b25-14-.
What are the key properties of N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide?
N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 500.34 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 126368928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).