2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide

C12H16IN3O2 — CID 37475095

IUPAC2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1ccccc1I
InChIInChI=1S/C12H16IN3O2/c1-2-7-14-12(18)16-11(17)8-15-10-6-4-3-5-9(10)13/h3-6,15H,2,7-8H2,1H3,(H2,14,16,17,18)
InChIKeyGHHOYBDLXVDVOB-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide

2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide (PubChem CID 37475095) has the molecular formula C12H16IN3O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
PubChem CID37475095
Molecular FormulaC12H16IN3O2
Molecular Weight361.18 g/mol
Exact Mass361.03
IUPAC Name2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1ccccc1I
InChIInChI=1S/C12H16IN3O2/c1-2-7-14-12(18)16-11(17)8-15-10-6-4-3-5-9(10)13/h3-6,15H,2,7-8H2,1H3,(H2,14,16,17,18)
InChIKeyGHHOYBDLXVDVOB-UHFFFAOYSA-N
XLogP1.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
CID 42068134
2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 18096510
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173
2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
CID 134008013
2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
CID 60602911
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
N-propyl-2-(2-sulfamoylanilino)acetamide
CID 43567437
N-(butylcarbamoyl)-2-[2-[(2S)-2-cyanopropyl]sulfanylanilino]acetamide
CID 95317062
2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9306320
2-(2-nitroanilino)-N-propylacetamide
CID 43398638

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide (CID 37475095) is 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNc1ccccc1I.
What is the InChIKey of 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide?
The InChIKey is GHHOYBDLXVDVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2/c1-2-7-14-12(18)16-11(17)8-15-10-6-4-3-5-9(10)13/h3-6,15H,2,7-8H2,1H3,(H2,14,16,17,18).
What are the key properties of 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide?
2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide has a molecular weight of 361.18 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoanilino)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 37475095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).