3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide

C12H14BrIN2O — CID 113411984

IUPAC3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide
SMILESNC(CC(=O)Nc1cc(Br)ccc1I)C1CC1
InChIInChI=1S/C12H14BrIN2O/c13-8-3-4-9(14)11(5-8)16-12(17)6-10(15)7-1-2-7/h3-5,7,10H,1-2,6,15H2,(H,16,17)
InChIKeyJUYYIURCMMNSFG-UHFFFAOYSA-N
MW409.07 g/mol
LogP3.12
Rot. Bonds4

About 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide

3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide (PubChem CID 113411984) has the molecular formula C12H14BrIN2O and a molecular weight of 409.07 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide
PubChem CID113411984
Molecular FormulaC12H14BrIN2O
Molecular Weight409.07 g/mol
Exact Mass407.93
IUPAC Name3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide
SMILESNC(CC(=O)Nc1cc(Br)ccc1I)C1CC1
InChIInChI=1S/C12H14BrIN2O/c13-8-3-4-9(14)11(5-8)16-12(17)6-10(15)7-1-2-7/h3-5,7,10H,1-2,6,15H2,(H,16,17)
InChIKeyJUYYIURCMMNSFG-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
CID 82708527
N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
CID 114259223
N-(5-bromo-2-iodophenyl)propanamide
CID 47076747
3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
CID 107599767
2-amino-N-(5-bromo-2-iodophenyl)-3,3-dimethylbutanamide
CID 113288456
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160
methyl N-(5-bromo-2-iodophenyl)carbamate
CID 130159713
(1S,2R,4S)-N-(5-bromo-2-iodophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98753327
N-(5-bromo-2-iodophenyl)-2-methoxypropanamide
CID 47403053
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
CID 114259152

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide (CID 113411984) is 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide is NC(CC(=O)Nc1cc(Br)ccc1I)C1CC1.
What is the InChIKey of 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide?
The InChIKey is JUYYIURCMMNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIN2O/c13-8-3-4-9(14)11(5-8)16-12(17)6-10(15)7-1-2-7/h3-5,7,10H,1-2,6,15H2,(H,16,17).
What are the key properties of 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide?
3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide has a molecular weight of 409.07 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide is sourced from PubChem (CID 113411984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).