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

C11H12Cl3NO — CID 114295303

IUPAC2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c1-11(2,6-12)15-10(16)8-4-3-7(13)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyOYHRYSSHQWAQGF-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.74
Rot. Bonds3

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

2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide (PubChem CID 114295303) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
PubChem CID114295303
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c1-11(2,6-12)15-10(16)8-4-3-7(13)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyOYHRYSSHQWAQGF-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.74
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

2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261533
2,4-dichloro-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 175051329
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
CID 103764879
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide (CID 114295303) is 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide is CC(C)(CCl)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide?
The InChIKey is OYHRYSSHQWAQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-11(2,6-12)15-10(16)8-4-3-7(13)5-9(8)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide?
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide has a molecular weight of 280.58 g/mol, XLogP of 3.74, 3 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-methylpropan-2-yl)benzamide is sourced from PubChem (CID 114295303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).