2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide

C15H21ClFNO — CID 67968264

IUPAC2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide
SMILESCc1c(CC(=O)NC(C)(C)C(C)C)ccc(Cl)c1F
InChIInChI=1S/C15H21ClFNO/c1-9(2)15(4,5)18-13(19)8-11-6-7-12(16)14(17)10(11)3/h6-7,9H,8H2,1-5H3,(H,18,19)
InChIKeyPUFBBWNGLODASD-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide

2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide (PubChem CID 67968264) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide
PubChem CID67968264
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide
SMILESCc1c(CC(=O)NC(C)(C)C(C)C)ccc(Cl)c1F
InChIInChI=1S/C15H21ClFNO/c1-9(2)15(4,5)18-13(19)8-11-6-7-12(16)14(17)10(11)3/h6-7,9H,8H2,1-5H3,(H,18,19)
InChIKeyPUFBBWNGLODASD-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide (CID 67968264) is 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide is Cc1c(CC(=O)NC(C)(C)C(C)C)ccc(Cl)c1F.
What is the InChIKey of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide?
The InChIKey is PUFBBWNGLODASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-9(2)15(4,5)18-13(19)8-11-6-7-12(16)14(17)10(11)3/h6-7,9H,8H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide?
2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide has a molecular weight of 285.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluoro-2-methylphenyl)-N-(2,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 67968264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).