5-tert-butyl-2-chloro-N-methylbenzamide

C12H16ClNO — CID 59485577

IUPAC5-tert-butyl-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/C12H16ClNO/c1-12(2,3)8-5-6-10(13)9(7-8)11(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyOFNHEPKOQSKLSG-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.00
Rot. Bonds1

About 5-tert-butyl-2-chloro-N-methylbenzamide

5-tert-butyl-2-chloro-N-methylbenzamide (PubChem CID 59485577) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name5-tert-butyl-2-chloro-N-methylbenzamide
PubChem CID59485577
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-tert-butyl-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/C12H16ClNO/c1-12(2,3)8-5-6-10(13)9(7-8)11(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyOFNHEPKOQSKLSG-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide
CID 52666266
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CID 58663049
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
2-chloro-N-methyl-5-pyridin-4-ylbenzamide
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1-(5-tert-butyl-2-chlorophenyl)pentan-1-one
CID 83988564
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
2-chloro-N-methyl-5-(2-phenylethylamino)benzamide
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2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloro-N-methylbenzamide?
The IUPAC name of 5-tert-butyl-2-chloro-N-methylbenzamide (CID 59485577) is 5-tert-butyl-2-chloro-N-methylbenzamide.
What is the SMILES notation for 5-tert-butyl-2-chloro-N-methylbenzamide?
The canonical SMILES for 5-tert-butyl-2-chloro-N-methylbenzamide is CNC(=O)c1cc(C(C)(C)C)ccc1Cl.
What is the InChIKey of 5-tert-butyl-2-chloro-N-methylbenzamide?
The InChIKey is OFNHEPKOQSKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2,3)8-5-6-10(13)9(7-8)11(15)14-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 5-tert-butyl-2-chloro-N-methylbenzamide?
5-tert-butyl-2-chloro-N-methylbenzamide has a molecular weight of 225.72 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloro-N-methylbenzamide is sourced from PubChem (CID 59485577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).