2-bromo-N-(6-bromohexyl)-5-chlorobenzamide

C13H16Br2ClNO — CID 114026635

IUPAC2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
SMILESO=C(NCCCCCCBr)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H16Br2ClNO/c14-7-3-1-2-4-8-17-13(18)11-9-10(16)5-6-12(11)15/h5-6,9H,1-4,7-8H2,(H,17,18)
InChIKeySRHPNRQVWZPLEC-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.79
Rot. Bonds7

About 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide

2-bromo-N-(6-bromohexyl)-5-chlorobenzamide (PubChem CID 114026635) has the molecular formula C13H16Br2ClNO and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
PubChem CID114026635
Molecular FormulaC13H16Br2ClNO
Molecular Weight397.54 g/mol
Exact Mass394.93
IUPAC Name2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
SMILESO=C(NCCCCCCBr)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H16Br2ClNO/c14-7-3-1-2-4-8-17-13(18)11-9-10(16)5-6-12(11)15/h5-6,9H,1-4,7-8H2,(H,17,18)
InChIKeySRHPNRQVWZPLEC-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.79
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-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
ethyl 7-[(2-bromo-5-chlorobenzoyl)amino]heptanoate
CID 78901898
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
N-(5-bromopentyl)-4-chloro-2-nitrobenzamide
CID 107322126
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide?
The IUPAC name of 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide (CID 114026635) is 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide is O=C(NCCCCCCBr)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide?
The InChIKey is SRHPNRQVWZPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2ClNO/c14-7-3-1-2-4-8-17-13(18)11-9-10(16)5-6-12(11)15/h5-6,9H,1-4,7-8H2,(H,17,18).
What are the key properties of 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide?
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide has a molecular weight of 397.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-bromohexyl)-5-chlorobenzamide is sourced from PubChem (CID 114026635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).