methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate

C10H11IN2O3 — CID 135922579

IUPACmethyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1cc(I)cc(C)c1O
InChIInChI=1S/C10H11IN2O3/c1-6-3-8(11)4-7(9(6)14)5-12-13-10(15)16-2/h3-5,14H,1-2H3,(H,13,15)/b12-5-
InChIKeyIJMSHGSBFKAEOO-XGICHPGQSA-N
MW334.11 g/mol
LogP2.00
Rot. Bonds2

About methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate

methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate (PubChem CID 135922579) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate
PubChem CID135922579
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Namemethyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1cc(I)cc(C)c1O
InChIInChI=1S/C10H11IN2O3/c1-6-3-8(11)4-7(9(6)14)5-12-13-10(15)16-2/h3-5,14H,1-2H3,(H,13,15)/b12-5-
InChIKeyIJMSHGSBFKAEOO-XGICHPGQSA-N
XLogP2.00
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

Analyze methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate with MolForge

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Related Compounds

methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136824224
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
methyl N-[(E)-(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]carbamate
CID 135613521
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]acetamide
CID 135925942
N-[(E)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135590024
methyl N-[(E)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]carbamate
CID 6903958
methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 2274594
methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 135578366
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135643908
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 135479567

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate (CID 135922579) is methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate is COC(=O)N/N=C\c1cc(I)cc(C)c1O.
What is the InChIKey of methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate?
The InChIKey is IJMSHGSBFKAEOO-XGICHPGQSA-N. The full InChI is InChI=1S/C10H11IN2O3/c1-6-3-8(11)4-7(9(6)14)5-12-13-10(15)16-2/h3-5,14H,1-2H3,(H,13,15)/b12-5-.
What are the key properties of methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate?
methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate has a molecular weight of 334.11 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 135922579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).