N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide

C13H16BrCl2NO — CID 107206177

IUPACN-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16BrCl2NO/c1-17(8-4-2-3-7-14)13(18)11-6-5-10(15)9-12(11)16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyYHQWLAANFIHFBJ-UHFFFAOYSA-N
MW353.09 g/mol
LogP4.63
Rot. Bonds6

About N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide

N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide (PubChem CID 107206177) has the molecular formula C13H16BrCl2NO and a molecular weight of 353.09 g/mol. Its IUPAC name is N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
PubChem CID107206177
Molecular FormulaC13H16BrCl2NO
Molecular Weight353.09 g/mol
Exact Mass350.98
IUPAC NameN-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
SMILESCN(CCCCCBr)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16BrCl2NO/c1-17(8-4-2-3-7-14)13(18)11-6-5-10(15)9-12(11)16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyYHQWLAANFIHFBJ-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 54.63
H-Bond Donors ≤ 50
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-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
CID 114242843
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
4-chloro-N-(5-chloropentyl)-N-methyl-2-nitrobenzamide
CID 107205659

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide?
The IUPAC name of N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide (CID 107206177) is N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide is CN(CCCCCBr)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide?
The InChIKey is YHQWLAANFIHFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO/c1-17(8-4-2-3-7-14)13(18)11-6-5-10(15)9-12(11)16/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide?
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide has a molecular weight of 353.09 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide is sourced from PubChem (CID 107206177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).