4-tert-butyl-N-(2,4-dichlorophenyl)benzamide

C17H17Cl2NO — CID 773784

IUPAC4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-8-13(18)10-14(15)19/h4-10H,1-3H3,(H,20,21)
InChIKeyBGBLLMJGERQPTH-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.54
Rot. Bonds2

About 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide

4-tert-butyl-N-(2,4-dichlorophenyl)benzamide (PubChem CID 773784) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
PubChem CID773784
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-8-13(18)10-14(15)19/h4-10H,1-3H3,(H,20,21)
InChIKeyBGBLLMJGERQPTH-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
N-(2,4-dichlorophenyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698785
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 4628171

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide (CID 773784) is 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide?
The InChIKey is BGBLLMJGERQPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-8-13(18)10-14(15)19/h4-10H,1-3H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide?
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide has a molecular weight of 322.24 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,4-dichlorophenyl)benzamide is sourced from PubChem (CID 773784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).