3,4-dichloro-N-(5-chloropentyl)benzamide

C12H14Cl3NO — CID 107320915

IUPAC3,4-dichloro-N-(5-chloropentyl)benzamide
SMILESO=C(NCCCCCCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO/c13-6-2-1-3-7-16-12(17)9-4-5-10(14)11(15)8-9/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyWIXUYLVAUFRUCL-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.13
Rot. Bonds6

About 3,4-dichloro-N-(5-chloropentyl)benzamide

3,4-dichloro-N-(5-chloropentyl)benzamide (PubChem CID 107320915) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-chloropentyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-chloropentyl)benzamide
PubChem CID107320915
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name3,4-dichloro-N-(5-chloropentyl)benzamide
SMILESO=C(NCCCCCCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO/c13-6-2-1-3-7-16-12(17)9-4-5-10(14)11(15)8-9/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyWIXUYLVAUFRUCL-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.13
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

3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-(6-chlorohexyl)-3,5-dihydroxybenzamide
CID 107847362
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-chloropentyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(5-chloropentyl)benzamide (CID 107320915) is 3,4-dichloro-N-(5-chloropentyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(5-chloropentyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(5-chloropentyl)benzamide is O=C(NCCCCCCl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(5-chloropentyl)benzamide?
The InChIKey is WIXUYLVAUFRUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c13-6-2-1-3-7-16-12(17)9-4-5-10(14)11(15)8-9/h4-5,8H,1-3,6-7H2,(H,16,17).
What are the key properties of 3,4-dichloro-N-(5-chloropentyl)benzamide?
3,4-dichloro-N-(5-chloropentyl)benzamide has a molecular weight of 294.61 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-chloropentyl)benzamide is sourced from PubChem (CID 107320915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).