5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide

C13H17BrClNO2 — CID 65309176

IUPAC5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide
SMILESCOCC(Cl)CN(C)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H17BrClNO2/c1-9-4-5-10(14)6-12(9)13(17)16(2)7-11(15)8-18-3/h4-6,11H,7-8H2,1-3H3
InChIKeyFSSZCYYUCBIASA-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.08
Rot. Bonds5

About 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide

5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide (PubChem CID 65309176) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide
PubChem CID65309176
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide
SMILESCOCC(Cl)CN(C)C(=O)c1cc(Br)ccc1C
InChIInChI=1S/C13H17BrClNO2/c1-9-4-5-10(14)6-12(9)13(17)16(2)7-11(15)8-18-3/h4-6,11H,7-8H2,1-3H3
InChIKeyFSSZCYYUCBIASA-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide 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-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 63397906
N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide
CID 55186682
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
CID 63397918
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide (CID 65309176) is 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide is COCC(Cl)CN(C)C(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide?
The InChIKey is FSSZCYYUCBIASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-9-4-5-10(14)6-12(9)13(17)16(2)7-11(15)8-18-3/h4-6,11H,7-8H2,1-3H3.
What are the key properties of 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide?
5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide has a molecular weight of 334.64 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 65309176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).