5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide

C13H14BrIN2O2 — CID 47113782

IUPAC5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C13H14BrIN2O2/c1-17(7-12(18)16-9-3-4-9)13(19)10-6-8(14)2-5-11(10)15/h2,5-6,9H,3-4,7H2,1H3,(H,16,18)
InChIKeyCAJWBVMQVIOOLJ-UHFFFAOYSA-N
MW437.08 g/mol
LogP2.40
Rot. Bonds4

About 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide

5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide (PubChem CID 47113782) has the molecular formula C13H14BrIN2O2 and a molecular weight of 437.08 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
PubChem CID47113782
Molecular FormulaC13H14BrIN2O2
Molecular Weight437.08 g/mol
Exact Mass435.93
IUPAC Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C13H14BrIN2O2/c1-17(7-12(18)16-9-3-4-9)13(19)10-6-8(14)2-5-11(10)15/h2,5-6,9H,3-4,7H2,1H3,(H,16,18)
InChIKeyCAJWBVMQVIOOLJ-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 55406882
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-5-bromo-2-iodo-N-methylbenzamide
CID 114032684
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150
2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31426765
2-[(5-bromo-2-iodobenzoyl)-cyclopropylamino]acetic acid
CID 54945887
5-bromo-N-(2-cyanoethyl)-2-iodo-N-methylbenzamide
CID 99149210
4-[(5-bromo-2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808546
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007
5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide (CID 47113782) is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide is CN(CC(=O)NC1CC1)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The InChIKey is CAJWBVMQVIOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrIN2O2/c1-17(7-12(18)16-9-3-4-9)13(19)10-6-8(14)2-5-11(10)15/h2,5-6,9H,3-4,7H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide has a molecular weight of 437.08 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide is sourced from PubChem (CID 47113782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).