5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide

C11H14BrClN2O — CID 977968

IUPAC5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-15(2)6-5-14-11(16)9-7-8(12)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyBKGSDWFLEWXTOZ-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.39
Rot. Bonds4

About 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide

5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 977968) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID977968
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-15(2)6-5-14-11(16)9-7-8(12)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyBKGSDWFLEWXTOZ-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide (CID 977968) is 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is BKGSDWFLEWXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-15(2)6-5-14-11(16)9-7-8(12)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide?
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 305.60 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 977968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).