[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate

C18H17IN2O4 — CID 2509396

IUPAC[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2ccccc2I)c(C)c1
InChIInChI=1S/C18H17IN2O4/c1-11-7-8-15(12(2)9-11)20-18(24)21-16(22)10-25-17(23)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyDYGZGGJMFALDPL-UHFFFAOYSA-N
MW452.25 g/mol
LogP3.41
Rot. Bonds4

About [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate (PubChem CID 2509396) has the molecular formula C18H17IN2O4 and a molecular weight of 452.25 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
PubChem CID2509396
Molecular FormulaC18H17IN2O4
Molecular Weight452.25 g/mol
Exact Mass452.02
IUPAC Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2ccccc2I)c(C)c1
InChIInChI=1S/C18H17IN2O4/c1-11-7-8-15(12(2)9-11)20-18(24)21-16(22)10-25-17(23)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyDYGZGGJMFALDPL-UHFFFAOYSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-nitrobenzoate
CID 2619259
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide
CID 38879134
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233751
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7747785
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8764900
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193555
[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethoxy]benzamide
CID 7199369
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-bromobenzoate
CID 2625552
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523545
2-(2-acetylphenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 112781528
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8631752

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate?
The IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate (CID 2509396) is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate is Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccccc2I)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate?
The InChIKey is DYGZGGJMFALDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O4/c1-11-7-8-15(12(2)9-11)20-18(24)21-16(22)10-25-17(23)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate?
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate has a molecular weight of 452.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate is sourced from PubChem (CID 2509396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).