N-(3-bromopropyl)-2,6-dichlorobenzamide

C10H10BrCl2NO — CID 43133585

IUPACN-(3-bromopropyl)-2,6-dichlorobenzamide
SMILESO=C(NCCCBr)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10BrCl2NO/c11-5-2-6-14-10(15)9-7(12)3-1-4-8(9)13/h1,3-4H,2,5-6H2,(H,14,15)
InChIKeyODCYHPZUSWQJLE-UHFFFAOYSA-N
MW311.01 g/mol
LogP3.51
Rot. Bonds4

About N-(3-bromopropyl)-2,6-dichlorobenzamide

N-(3-bromopropyl)-2,6-dichlorobenzamide (PubChem CID 43133585) has the molecular formula C10H10BrCl2NO and a molecular weight of 311.01 g/mol. Its IUPAC name is N-(3-bromopropyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2,6-dichlorobenzamide
PubChem CID43133585
Molecular FormulaC10H10BrCl2NO
Molecular Weight311.01 g/mol
Exact Mass308.93
IUPAC NameN-(3-bromopropyl)-2,6-dichlorobenzamide
SMILESO=C(NCCCBr)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10BrCl2NO/c11-5-2-6-14-10(15)9-7(12)3-1-4-8(9)13/h1,3-4H,2,5-6H2,(H,14,15)
InChIKeyODCYHPZUSWQJLE-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
N-(6-bromohexyl)-2-chloro-6-nitrobenzamide
CID 107847753
N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
CID 62666216
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
N-(3-azidopropyl)-2,6-dichlorobenzamide
CID 61343646
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(3-bromopropyl)-2,6-dichlorobenzamide (CID 43133585) is N-(3-bromopropyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(3-bromopropyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(3-bromopropyl)-2,6-dichlorobenzamide is O=C(NCCCBr)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(3-bromopropyl)-2,6-dichlorobenzamide?
The InChIKey is ODCYHPZUSWQJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO/c11-5-2-6-14-10(15)9-7(12)3-1-4-8(9)13/h1,3-4H,2,5-6H2,(H,14,15).
What are the key properties of N-(3-bromopropyl)-2,6-dichlorobenzamide?
N-(3-bromopropyl)-2,6-dichlorobenzamide has a molecular weight of 311.01 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 43133585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).