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

C12H15Cl2NO — CID 114306157

IUPAC2-chloro-N-(4-chloro-2-methylbutyl)benzamide
SMILESCC(CCCl)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-9(6-7-13)8-15-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyJKTSGMTXXHQYID-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.33
Rot. Bonds5

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

2-chloro-N-(4-chloro-2-methylbutyl)benzamide (PubChem CID 114306157) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-methylbutyl)benzamide
PubChem CID114306157
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-chloro-N-(4-chloro-2-methylbutyl)benzamide
SMILESCC(CCCl)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-9(6-7-13)8-15-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyJKTSGMTXXHQYID-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-chloro-2-methylbutyl)benzamide
CID 114305988
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-methylbutyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-methylbutyl)benzamide (CID 114306157) is 2-chloro-N-(4-chloro-2-methylbutyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-methylbutyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-methylbutyl)benzamide is CC(CCCl)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-2-methylbutyl)benzamide?
The InChIKey is JKTSGMTXXHQYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-9(6-7-13)8-15-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(4-chloro-2-methylbutyl)benzamide?
2-chloro-N-(4-chloro-2-methylbutyl)benzamide has a molecular weight of 260.16 g/mol, XLogP of 3.33, 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-chloro-2-methylbutyl)benzamide is sourced from PubChem (CID 114306157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).