N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide

C11H13BrN2O2 — CID 61033826

IUPACN-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2N)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-16-10-3-2-6(4-7(10)12)11(15)14-9-5-8(9)13/h2-4,8-9H,5,13H2,1H3,(H,14,15)
InChIKeyQRSCTXKXXROTNS-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.29
Rot. Bonds3

About N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide

N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide (PubChem CID 61033826) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
PubChem CID61033826
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC2N)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-16-10-3-2-6(4-7(10)12)11(15)14-9-5-8(9)13/h2-4,8-9H,5,13H2,1H3,(H,14,15)
InChIKeyQRSCTXKXXROTNS-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide 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

3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
3-bromo-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62086482
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
3-bromo-4-methoxy-N-(1-oxothian-4-yl)benzamide
CID 113429210
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide?
The IUPAC name of N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide (CID 61033826) is N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)NC2CC2N)cc1Br.
What is the InChIKey of N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide?
The InChIKey is QRSCTXKXXROTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-16-10-3-2-6(4-7(10)12)11(15)14-9-5-8(9)13/h2-4,8-9H,5,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide?
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide has a molecular weight of 285.14 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 61033826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).