N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide

C12H14BrIN2O — CID 114259911

IUPACN-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(I)cc1Br
InChIInChI=1S/C12H14BrIN2O/c13-10-5-9(14)3-4-11(10)16-12(17)7-15-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyVOKNEZPOAFAFCS-UHFFFAOYSA-N
MW409.07 g/mol
LogP2.99
Rot. Bonds5

About N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide

N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 114259911) has the molecular formula C12H14BrIN2O and a molecular weight of 409.07 g/mol. Its IUPAC name is N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID114259911
Molecular FormulaC12H14BrIN2O
Molecular Weight409.07 g/mol
Exact Mass407.93
IUPAC NameN-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(I)cc1Br
InChIInChI=1S/C12H14BrIN2O/c13-10-5-9(14)3-4-11(10)16-12(17)7-15-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyVOKNEZPOAFAFCS-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 52.99
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

2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 107611744
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide
CID 130498541
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097
2-bromo-N-(cycloheptylmethyl)-4-iodoaniline
CID 114258973
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
CID 60866035
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
CID 119800266
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672274

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide (CID 114259911) is N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1ccc(I)cc1Br.
What is the InChIKey of N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is VOKNEZPOAFAFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIN2O/c13-10-5-9(14)3-4-11(10)16-12(17)7-15-6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17).
What are the key properties of N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide?
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 409.07 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 114259911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).