methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate

C11H13IN2O3 — CID 108571243

IUPACmethyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1ccccc1I
InChIInChI=1S/C11H13IN2O3/c1-17-11(16)14-7-6-13-10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyDGOWUZMDKNPTGD-UHFFFAOYSA-N
MW348.14 g/mol
LogP1.38
Rot. Bonds4

About methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate

methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate (PubChem CID 108571243) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
PubChem CID108571243
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Namemethyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1ccccc1I
InChIInChI=1S/C11H13IN2O3/c1-17-11(16)14-7-6-13-10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyDGOWUZMDKNPTGD-UHFFFAOYSA-N
XLogP1.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
N-(3-chlorobutyl)-2-iodobenzamide
CID 114301785
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
4-[(2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80538349
2-iodo-N-prop-2-ynylbenzamide
CID 18110013
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate (CID 108571243) is methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate is COC(=O)NCCNC(=O)c1ccccc1I.
What is the InChIKey of methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate?
The InChIKey is DGOWUZMDKNPTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-17-11(16)14-7-6-13-10(15)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate?
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate has a molecular weight of 348.14 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108571243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).