2,4-dichloro-N-nonylbenzamide

C16H23Cl2NO — CID 3596264

IUPAC2,4-dichloro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-3-4-5-6-7-8-11-19-16(20)14-10-9-13(17)12-15(14)18/h9-10,12H,2-8,11H2,1H3,(H,19,20)
InChIKeyVGSOFPZKZKHXRP-UHFFFAOYSA-N
MW316.27 g/mol
LogP5.47
Rot. Bonds9

About 2,4-dichloro-N-nonylbenzamide

2,4-dichloro-N-nonylbenzamide (PubChem CID 3596264) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2,4-dichloro-N-nonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-nonylbenzamide
PubChem CID3596264
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2,4-dichloro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-2-3-4-5-6-7-8-11-19-16(20)14-10-9-13(17)12-15(14)18/h9-10,12H,2-8,11H2,1H3,(H,19,20)
InChIKeyVGSOFPZKZKHXRP-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.27
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2-chloro-N-undecylbenzamide
CID 3373978
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
1-butyl-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 40648193
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
5-chloro-N-decyl-2-nitrobenzamide
CID 4113586
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-nonylbenzamide?
The IUPAC name of 2,4-dichloro-N-nonylbenzamide (CID 3596264) is 2,4-dichloro-N-nonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-nonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-nonylbenzamide is CCCCCCCCCNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-nonylbenzamide?
The InChIKey is VGSOFPZKZKHXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-3-4-5-6-7-8-11-19-16(20)14-10-9-13(17)12-15(14)18/h9-10,12H,2-8,11H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-nonylbenzamide?
2,4-dichloro-N-nonylbenzamide has a molecular weight of 316.27 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-nonylbenzamide is sourced from PubChem (CID 3596264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).