methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate

C10H9ClINO3 — CID 47190528

IUPACmethyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H9ClINO3/c1-16-9(14)5-13-10(15)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyMDNNNMMWAPMZRQ-UHFFFAOYSA-N
MW353.54 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate

methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate (PubChem CID 47190528) has the molecular formula C10H9ClINO3 and a molecular weight of 353.54 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
PubChem CID47190528
Molecular FormulaC10H9ClINO3
Molecular Weight353.54 g/mol
Exact Mass352.93
IUPAC Namemethyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H9ClINO3/c1-16-9(14)5-13-10(15)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyMDNNNMMWAPMZRQ-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309
methyl 2-[(5-chloro-2-iodobenzoyl)-propan-2-ylamino]acetate
CID 113223737
5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
CID 60602258
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
CID 103747308
5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46482881
5-chloro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626498

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate (CID 47190528) is methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate is COC(=O)CNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate?
The InChIKey is MDNNNMMWAPMZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClINO3/c1-16-9(14)5-13-10(15)7-4-6(11)2-3-8(7)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate?
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate has a molecular weight of 353.54 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 47190528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).