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

C14H18BrClINO — CID 114168869

IUPACN-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H18BrClINO/c1-3-9(4-2)12(15)8-18-14(19)11-7-10(16)5-6-13(11)17/h5-7,9,12H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyIPKDSOYXPNHMMU-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.87
Rot. Bonds6

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

N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide (PubChem CID 114168869) has the molecular formula C14H18BrClINO and a molecular weight of 458.57 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide
PubChem CID114168869
Molecular FormulaC14H18BrClINO
Molecular Weight458.57 g/mol
Exact Mass456.93
IUPAC NameN-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H18BrClINO/c1-3-9(4-2)12(15)8-18-14(19)11-7-10(16)5-6-13(11)17/h5-7,9,12H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyIPKDSOYXPNHMMU-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309
5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
2-[[(5-chloro-2-iodobenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103791345
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenyl)acetamide
CID 106288320
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
CID 106287678
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide (CID 114168869) is N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide is CCC(CC)C(Br)CNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide?
The InChIKey is IPKDSOYXPNHMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClINO/c1-3-9(4-2)12(15)8-18-14(19)11-7-10(16)5-6-13(11)17/h5-7,9,12H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide?
N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide has a molecular weight of 458.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 114168869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).