5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C10H13BrCl2N2O — CID 119503330

IUPAC5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C10H12BrClN2O.ClH/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12;/h2-3,6,13H,4-5H2,1H3,(H,14,15);1H
InChIKeyXHHHFRVUIQHWAB-UHFFFAOYSA-N
MW328.04 g/mol
LogP2.47
Rot. Bonds4

About 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119503330) has the molecular formula C10H13BrCl2N2O and a molecular weight of 328.04 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119503330
Molecular FormulaC10H13BrCl2N2O
Molecular Weight328.04 g/mol
Exact Mass325.96
IUPAC Name5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C10H12BrClN2O.ClH/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12;/h2-3,6,13H,4-5H2,1H3,(H,14,15);1H
InChIKeyXHHHFRVUIQHWAB-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
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CID 119629541
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119503330) is 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cc(Br)ccc1Cl.Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is XHHHFRVUIQHWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O.ClH/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12;/h2-3,6,13H,4-5H2,1H3,(H,14,15);1H.
What are the key properties of 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 328.04 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119503330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).