2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide

C12H14IN3O3 — CID 60559925

IUPAC2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H14IN3O3/c1-8(17)14-6-11(18)15-7-12(19)16-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyVGFCMZXRDLYKMV-UHFFFAOYSA-N
MW375.17 g/mol
LogP0.48
Rot. Bonds5

About 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide

2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide (PubChem CID 60559925) has the molecular formula C12H14IN3O3 and a molecular weight of 375.17 g/mol. Its IUPAC name is 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide
PubChem CID60559925
Molecular FormulaC12H14IN3O3
Molecular Weight375.17 g/mol
Exact Mass375.01
IUPAC Name2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H14IN3O3/c1-8(17)14-6-11(18)15-7-12(19)16-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyVGFCMZXRDLYKMV-UHFFFAOYSA-N
XLogP0.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(4-iodophenyl)acetamide
CID 60636455
N-(4-iodophenyl)acetamide
CID 12147
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
N-[4-(4-iodobenzoyl)phenyl]acetamide
CID 43337938

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide (CID 60559925) is 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide?
The InChIKey is VGFCMZXRDLYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O3/c1-8(17)14-6-11(18)15-7-12(19)16-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide?
2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide has a molecular weight of 375.17 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 60559925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).