3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide

C16H24BrClN2O — CID 107999470

IUPAC3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(Cl)c(Br)c1)N(C)C
InChIInChI=1S/C16H24BrClN2O/c1-5-11(6-2)15(20(3)4)10-19-16(21)12-7-8-14(18)13(17)9-12/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyZZNODOWGLOXAMS-UHFFFAOYSA-N
MW375.74 g/mol
LogP4.20
Rot. Bonds7

About 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide

3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide (PubChem CID 107999470) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
PubChem CID107999470
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC Name3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(Cl)c(Br)c1)N(C)C
InChIInChI=1S/C16H24BrClN2O/c1-5-11(6-2)15(20(3)4)10-19-16(21)12-7-8-14(18)13(17)9-12/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyZZNODOWGLOXAMS-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 61276034
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107952235
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107997968
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 103841799
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103842939
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide
CID 61248888
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide (CID 107999470) is 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide is CCC(CC)C(CNC(=O)c1ccc(Cl)c(Br)c1)N(C)C.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The InChIKey is ZZNODOWGLOXAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2O/c1-5-11(6-2)15(20(3)4)10-19-16(21)12-7-8-14(18)13(17)9-12/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,21).
What are the key properties of 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide has a molecular weight of 375.74 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide is sourced from PubChem (CID 107999470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).