N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide

C12H16ClNO — CID 4204423

IUPACN-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)(C)C
InChIInChI=1S/C12H16ClNO/c1-8-9(13)6-5-7-10(8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyYQVJHVGXBACZLU-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.63
Rot. Bonds1

About N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide

N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide (PubChem CID 4204423) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide
PubChem CID4204423
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)(C)C
InChIInChI=1S/C12H16ClNO/c1-8-9(13)6-5-7-10(8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyYQVJHVGXBACZLU-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide (CID 4204423) is N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide is Cc1c(Cl)cccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide?
The InChIKey is YQVJHVGXBACZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-9(13)6-5-7-10(8)14-11(15)12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide?
N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide has a molecular weight of 225.72 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4204423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).