5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide

C12H17BrN2O3 — CID 114098924

IUPAC5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide
SMILESCOCC(CNC(=O)c1cc(N)ccc1Br)OC
InChIInChI=1S/C12H17BrN2O3/c1-17-7-9(18-2)6-15-12(16)10-5-8(14)3-4-11(10)13/h3-5,9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyVMXYMTWCPCYSLQ-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.42
Rot. Bonds6

About 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide

5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide (PubChem CID 114098924) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide
PubChem CID114098924
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide
SMILESCOCC(CNC(=O)c1cc(N)ccc1Br)OC
InChIInChI=1S/C12H17BrN2O3/c1-17-7-9(18-2)6-15-12(16)10-5-8(14)3-4-11(10)13/h3-5,9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyVMXYMTWCPCYSLQ-UHFFFAOYSA-N
XLogP1.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide 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

5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
CID 64568794
4-bromo-3-chloro-N-(2,3-dimethoxypropyl)benzamide
CID 113368724
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
CID 104600874
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide (CID 114098924) is 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide is COCC(CNC(=O)c1cc(N)ccc1Br)OC.
What is the InChIKey of 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide?
The InChIKey is VMXYMTWCPCYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-17-7-9(18-2)6-15-12(16)10-5-8(14)3-4-11(10)13/h3-5,9H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide?
5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide has a molecular weight of 317.18 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide is sourced from PubChem (CID 114098924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).