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

C10H12BrIN2O — CID 130498541

IUPACN-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(I)cc1Br
InChIInChI=1S/C10H12BrIN2O/c1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyDZYZIXHBWOIHJV-UHFFFAOYSA-N
MW383.03 g/mol
LogP2.55
Rot. Bonds3

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

N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide (PubChem CID 130498541) has the molecular formula C10H12BrIN2O and a molecular weight of 383.03 g/mol. Its IUPAC name is N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide
PubChem CID130498541
Molecular FormulaC10H12BrIN2O
Molecular Weight383.03 g/mol
Exact Mass381.92
IUPAC NameN-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(I)cc1Br
InChIInChI=1S/C10H12BrIN2O/c1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyDZYZIXHBWOIHJV-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.03
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-bromo-N-(2-bromo-4-iodophenyl)butanamide
CID 130498554
2-[(2-bromo-4-iodophenyl)carbamoyl-methylamino]butanoic acid
CID 114260808
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
CID 114259911
2-[(2-bromo-4-iodophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114260802
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 8766654
2-[2-aminoethyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 62687733
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
CID 114259905
2-bromo-N-(2-bromo-4-iodophenyl)-4-methylbenzamide
CID 114259017
1-(2-bromo-4-iodoanilino)propan-2-ol
CID 126975658
N-(2,4-dibromophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112548617
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide (CID 130498541) is N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(I)cc1Br.
What is the InChIKey of N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide?
The InChIKey is DZYZIXHBWOIHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIN2O/c1-14(2)6-10(15)13-9-4-3-7(12)5-8(9)11/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide?
N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide has a molecular weight of 383.03 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 130498541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).