2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid

C11H10ClIN2O5 — CID 107607069

IUPAC2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H10ClIN2O5/c12-7-3-6(13)1-2-8(7)14-11(19)15-9(16)4-20-5-10(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyJQTNSNHIGAJHGM-UHFFFAOYSA-N
MW412.57 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 107607069) has the molecular formula C11H10ClIN2O5 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID107607069
Molecular FormulaC11H10ClIN2O5
Molecular Weight412.57 g/mol
Exact Mass411.93
IUPAC Name2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H10ClIN2O5/c12-7-3-6(13)1-2-8(7)14-11(19)15-9(16)4-20-5-10(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19)
InChIKeyJQTNSNHIGAJHGM-UHFFFAOYSA-N
XLogP1.69
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
CID 60662460
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
CID 60708310
2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
(2R)-2-[(2-chloro-4-iodophenyl)carbamoylamino]butanedioic acid
CID 107605873
2-[2-[(2,5-dibromophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468309
2-[2-(2-chloro-4-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 67165862
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535
2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107636384
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid (CID 107607069) is 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is JQTNSNHIGAJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2O5/c12-7-3-6(13)1-2-8(7)14-11(19)15-9(16)4-20-5-10(17)18/h1-3H,4-5H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 412.57 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 107607069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).