2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide

C12H16IN3O2 — CID 18096510

IUPAC2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CNc1ccccc1I
InChIInChI=1S/C12H16IN3O2/c1-8(2)15-12(18)16-11(17)7-14-10-6-4-3-5-9(10)13/h3-6,8,14H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyCTMQHXBTSGBLBV-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.94
Rot. Bonds4

About 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide

2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 18096510) has the molecular formula C12H16IN3O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID18096510
Molecular FormulaC12H16IN3O2
Molecular Weight361.18 g/mol
Exact Mass361.03
IUPAC Name2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CNc1ccccc1I
InChIInChI=1S/C12H16IN3O2/c1-8(2)15-12(18)16-11(17)7-14-10-6-4-3-5-9(10)13/h3-6,8,14H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyCTMQHXBTSGBLBV-UHFFFAOYSA-N
XLogP1.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.94
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-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
CID 37475095
2-(2-phenylsulfanylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 24583272
2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31691858
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 35823872
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
CID 41397541
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
CID 43567944
N-(3,5-dimethoxyphenyl)-2-(2-iodoanilino)acetamide
CID 26506677
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide (CID 18096510) is 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CNc1ccccc1I.
What is the InChIKey of 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is CTMQHXBTSGBLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2/c1-8(2)15-12(18)16-11(17)7-14-10-6-4-3-5-9(10)13/h3-6,8,14H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide?
2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 361.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 18096510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).