2-chloro-N-(4-chlorobutyl)benzamide

C11H13Cl2NO — CID 106845467

IUPAC2-chloro-N-(4-chlorobutyl)benzamide
SMILESO=C(NCCCCCl)c1ccccc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-7-3-4-8-14-11(15)9-5-1-2-6-10(9)13/h1-2,5-6H,3-4,7-8H2,(H,14,15)
InChIKeySGXHWPDGNSITJZ-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.09
Rot. Bonds5

About 2-chloro-N-(4-chlorobutyl)benzamide

2-chloro-N-(4-chlorobutyl)benzamide (PubChem CID 106845467) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorobutyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorobutyl)benzamide
PubChem CID106845467
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-chloro-N-(4-chlorobutyl)benzamide
SMILESO=C(NCCCCCl)c1ccccc1Cl
InChIInChI=1S/C11H13Cl2NO/c12-7-3-4-8-14-11(15)9-5-1-2-6-10(9)13/h1-2,5-6H,3-4,7-8H2,(H,14,15)
InChIKeySGXHWPDGNSITJZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.09
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-chloro-N-undecylbenzamide
CID 3373978
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
4-[(2-chlorobenzoyl)amino]butanoate
CID 7024884
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 153096273

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorobutyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chlorobutyl)benzamide (CID 106845467) is 2-chloro-N-(4-chlorobutyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chlorobutyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chlorobutyl)benzamide is O=C(NCCCCCl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chlorobutyl)benzamide?
The InChIKey is SGXHWPDGNSITJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-7-3-4-8-14-11(15)9-5-1-2-6-10(9)13/h1-2,5-6H,3-4,7-8H2,(H,14,15).
What are the key properties of 2-chloro-N-(4-chlorobutyl)benzamide?
2-chloro-N-(4-chlorobutyl)benzamide has a molecular weight of 246.14 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorobutyl)benzamide is sourced from PubChem (CID 106845467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).