N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide

C11H13BrClNO2 — CID 114309984

IUPACN-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
SMILESCOCC(Br)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-16-7-8(12)6-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyIRVPOVZYMAYZKA-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.48
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide

N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide (PubChem CID 114309984) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
PubChem CID114309984
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
SMILESCOCC(Br)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-16-7-8(12)6-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyIRVPOVZYMAYZKA-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide 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

N-(2-bromo-3-methoxypropyl)-2,5-difluorobenzamide
CID 114310126
N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122688
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
CID 114310033
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894260
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide (CID 114309984) is N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide is COCC(Br)CNC(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide?
The InChIKey is IRVPOVZYMAYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-16-7-8(12)6-14-11(15)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide?
N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide is sourced from PubChem (CID 114309984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).