3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride

C12H18Cl2N2O — CID 119676324

IUPAC3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCc1ccc(Cl)cc1NC(=O)C(C)(C)CN.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-4-5-9(13)6-10(8)15-11(16)12(2,3)7-14;/h4-6H,7,14H2,1-3H3,(H,15,16);1H
InChIKeyFSGLLBHGJGVNFM-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride

3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119676324) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119676324
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCc1ccc(Cl)cc1NC(=O)C(C)(C)CN.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-4-5-9(13)6-10(8)15-11(16)12(2,3)7-14;/h4-6H,7,14H2,1-3H3,(H,15,16);1H
InChIKeyFSGLLBHGJGVNFM-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride (CID 119676324) is 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride is Cc1ccc(Cl)cc1NC(=O)C(C)(C)CN.Cl.
What is the InChIKey of 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is FSGLLBHGJGVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-8-4-5-9(13)6-10(8)15-11(16)12(2,3)7-14;/h4-6H,7,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119676324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).