2,3-dichloro-N-(4-chloropentyl)benzamide

C12H14Cl3NO — CID 106129757

IUPAC2,3-dichloro-N-(4-chloropentyl)benzamide
SMILESCC(Cl)CCCNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl3NO/c1-8(13)4-3-7-16-12(17)9-5-2-6-10(14)11(9)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyQWTRABRLISHKBW-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.13
Rot. Bonds5

About 2,3-dichloro-N-(4-chloropentyl)benzamide

2,3-dichloro-N-(4-chloropentyl)benzamide (PubChem CID 106129757) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 2,3-dichloro-N-(4-chloropentyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(4-chloropentyl)benzamide
PubChem CID106129757
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name2,3-dichloro-N-(4-chloropentyl)benzamide
SMILESCC(Cl)CCCNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl3NO/c1-8(13)4-3-7-16-12(17)9-5-2-6-10(14)11(9)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyQWTRABRLISHKBW-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
N-(4-chloropentyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114147402
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
N-(4-chloropentyl)-2,3,4-trifluorobenzamide
CID 106129404
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
CID 64539557
N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
CID 106129299
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(4-chloropentyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(4-chloropentyl)benzamide (CID 106129757) is 2,3-dichloro-N-(4-chloropentyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(4-chloropentyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(4-chloropentyl)benzamide is CC(Cl)CCCNC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(4-chloropentyl)benzamide?
The InChIKey is QWTRABRLISHKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-8(13)4-3-7-16-12(17)9-5-2-6-10(14)11(9)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 2,3-dichloro-N-(4-chloropentyl)benzamide?
2,3-dichloro-N-(4-chloropentyl)benzamide has a molecular weight of 294.61 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(4-chloropentyl)benzamide is sourced from PubChem (CID 106129757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).