2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide

C12H15Cl2NO — CID 114303738

IUPAC2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CCl)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-12(2,8-13)15-11(16)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyJBWKCSAJTSORGU-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.48
Rot. Bonds4

About 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide

2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide (PubChem CID 114303738) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
PubChem CID114303738
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CCl)NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-12(2,8-13)15-11(16)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyJBWKCSAJTSORGU-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.48
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

N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
2-chloro-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304558
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
N-(1-chloro-2-methylbutan-2-yl)-2,3,4-trifluorobenzamide
CID 114303732
3-chloro-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 103738044
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869
3-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-iodobenzamide
CID 103212403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide (CID 114303738) is 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide is CCC(C)(CCl)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
The InChIKey is JBWKCSAJTSORGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-12(2,8-13)15-11(16)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide has a molecular weight of 260.16 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 114303738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).