5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide

C14H18BrCl2NO — CID 106287321

IUPAC5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrCl2NO/c1-3-9(4-2)13(17)8-18-14(19)11-7-10(15)5-6-12(11)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyTVZVTKULHMJKCB-UHFFFAOYSA-N
MW367.11 g/mol
LogP4.88
Rot. Bonds6

About 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide

5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide (PubChem CID 106287321) has the molecular formula C14H18BrCl2NO and a molecular weight of 367.11 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
PubChem CID106287321
Molecular FormulaC14H18BrCl2NO
Molecular Weight367.11 g/mol
Exact Mass364.99
IUPAC Name5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
SMILESCCC(CC)C(Cl)CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrCl2NO/c1-3-9(4-2)13(17)8-18-14(19)11-7-10(15)5-6-12(11)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyTVZVTKULHMJKCB-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
3-[(5-bromo-2-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 55105060
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
CID 106287678
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
CID 106287681
2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474107
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide (CID 106287321) is 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide is CCC(CC)C(Cl)CNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide?
The InChIKey is TVZVTKULHMJKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO/c1-3-9(4-2)13(17)8-18-14(19)11-7-10(15)5-6-12(11)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide?
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide has a molecular weight of 367.11 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide is sourced from PubChem (CID 106287321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).