ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate

C10H13IN2O3 — CID 59228675

IUPACethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(I)c(N)cc1OC
InChIInChI=1S/C10H13IN2O3/c1-3-16-10(14)13-8-4-6(11)7(12)5-9(8)15-2/h4-5H,3,12H2,1-2H3,(H,13,14)
InChIKeyVEKABAWQAANGHM-UHFFFAOYSA-N
MW336.13 g/mol
LogP2.45
Rot. Bonds3

About ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate

ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate (PubChem CID 59228675) has the molecular formula C10H13IN2O3 and a molecular weight of 336.13 g/mol. Its IUPAC name is ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
PubChem CID59228675
Molecular FormulaC10H13IN2O3
Molecular Weight336.13 g/mol
Exact Mass336.00
IUPAC Nameethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1cc(I)c(N)cc1OC
InChIInChI=1S/C10H13IN2O3/c1-3-16-10(14)13-8-4-6(11)7(12)5-9(8)15-2/h4-5H,3,12H2,1-2H3,(H,13,14)
InChIKeyVEKABAWQAANGHM-UHFFFAOYSA-N
XLogP2.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
CID 70034657
ethyl N-(2,4-diamino-5-methylphenyl)carbamate
CID 154351383
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate
CID 131846229
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
methyl N-(2,4,5-trimethoxyphenyl)carbamate
CID 115190416
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
ethyl 2,4-diiodo-5-methoxybenzoate
CID 134645167
3-amino-4-(ethoxycarbonylamino)benzoic acid
CID 63117054

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate?
The IUPAC name of ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate (CID 59228675) is ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate is CCOC(=O)Nc1cc(I)c(N)cc1OC.
What is the InChIKey of ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate?
The InChIKey is VEKABAWQAANGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3/c1-3-16-10(14)13-8-4-6(11)7(12)5-9(8)15-2/h4-5H,3,12H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate?
ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate has a molecular weight of 336.13 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate is sourced from PubChem (CID 59228675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).