3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide

C12H16ClNO2 — CID 62728895

IUPAC3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C12H16ClNO2/c1-9(7-13)12(16)14(2)8-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3
InChIKeyQHZKXMUPMYJMQN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.23
Rot. Bonds4

About 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide

3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 62728895) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide
PubChem CID62728895
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C12H16ClNO2/c1-9(7-13)12(16)14(2)8-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3
InChIKeyQHZKXMUPMYJMQN-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide (CID 62728895) is 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide is CC(CCl)C(=O)N(C)Cc1ccccc1O.
What is the InChIKey of 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is QHZKXMUPMYJMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(7-13)12(16)14(2)8-10-5-3-4-6-11(10)15/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide?
3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-hydroxyphenyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 62728895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).