2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide

C16H24Br2N2O — CID 107952235

IUPAC2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(Br)cc1Br)N(C)C
InChIInChI=1S/C16H24Br2N2O/c1-5-11(6-2)15(20(3)4)10-19-16(21)13-8-7-12(17)9-14(13)18/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyAYPNEILPSZCRNJ-UHFFFAOYSA-N
MW420.19 g/mol
LogP4.31
Rot. Bonds7

About 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide

2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide (PubChem CID 107952235) has the molecular formula C16H24Br2N2O and a molecular weight of 420.19 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
PubChem CID107952235
Molecular FormulaC16H24Br2N2O
Molecular Weight420.19 g/mol
Exact Mass418.03
IUPAC Name2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(Br)cc1Br)N(C)C
InChIInChI=1S/C16H24Br2N2O/c1-5-11(6-2)15(20(3)4)10-19-16(21)13-8-7-12(17)9-14(13)18/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,21)
InChIKeyAYPNEILPSZCRNJ-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107999470
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
CID 95160183
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
4-amino-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 61276034
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide (CID 107952235) is 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide is CCC(CC)C(CNC(=O)c1ccc(Br)cc1Br)N(C)C.
What is the InChIKey of 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
The InChIKey is AYPNEILPSZCRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2N2O/c1-5-11(6-2)15(20(3)4)10-19-16(21)13-8-7-12(17)9-14(13)18/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,21).
What are the key properties of 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide?
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide has a molecular weight of 420.19 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide is sourced from PubChem (CID 107952235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).