2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide

C12H14Cl3NO — CID 114303802

IUPAC2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-3-12(2,7-13)16-11(17)9-5-4-8(14)6-10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyYHCBTMHSXNBESA-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.13
Rot. Bonds4

About 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide

2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide (PubChem CID 114303802) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
PubChem CID114303802
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO/c1-3-12(2,7-13)16-11(17)9-5-4-8(14)6-10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyYHCBTMHSXNBESA-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
N-(1-chloro-2-methylbutan-2-yl)-2,3,4-trifluorobenzamide
CID 114303732
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2,4-dichloro-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 175051329
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide (CID 114303802) is 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide is CCC(C)(CCl)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
The InChIKey is YHCBTMHSXNBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-3-12(2,7-13)16-11(17)9-5-4-8(14)6-10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide?
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide has a molecular weight of 294.61 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 114303802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).