N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C23H20IN3O4 — CID 3395997

IUPACN-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc(I)c1O
InChIInChI=1S/C23H20IN3O4/c1-14-7-3-4-8-16(14)22(29)26-19-10-6-5-9-17(19)23(30)27-25-13-15-11-18(24)21(28)20(12-15)31-2/h3-13,28H,1-2H3,(H,26,29)(H,27,30)
InChIKeyUWCZVMDUFZWGFC-UHFFFAOYSA-N
MW529.33 g/mol
LogP4.33
Rot. Bonds6

About N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 3395997) has the molecular formula C23H20IN3O4 and a molecular weight of 529.33 g/mol. Its IUPAC name is N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID3395997
Molecular FormulaC23H20IN3O4
Molecular Weight529.33 g/mol
Exact Mass529.05
IUPAC NameN-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc(I)c1O
InChIInChI=1S/C23H20IN3O4/c1-14-7-3-4-8-16(14)22(29)26-19-10-6-5-9-17(19)23(30)27-25-13-15-11-18(24)21(28)20(12-15)31-2/h3-13,28H,1-2H3,(H,26,29)(H,27,30)
InChIKeyUWCZVMDUFZWGFC-UHFFFAOYSA-N
XLogP4.33
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.33
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 136914355
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330
N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 1034803
N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 137062879
2-iodo-6-methoxy-4-[(E)-[(2-methylphenyl)hydrazinylidene]methyl]phenol
CID 135824305
2-bromo-N-[4-[[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136802144
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide
CID 19060884
N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135647068

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 3395997) is N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc(I)c1O.
What is the InChIKey of N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is UWCZVMDUFZWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20IN3O4/c1-14-7-3-4-8-16(14)22(29)26-19-10-6-5-9-17(19)23(30)27-25-13-15-11-18(24)21(28)20(12-15)31-2/h3-13,28H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 529.33 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 3395997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).