N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide

C23H22ClNO2 — CID 2960667

IUPACN-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C23H22ClNO2/c1-25(16-17-8-4-2-5-9-17)23(27)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)26/h2-14,20,26H,15-16H2,1H3
InChIKeyQAAJDKJKNQYHAB-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.23
Rot. Bonds6

About N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide

N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide (PubChem CID 2960667) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide
PubChem CID2960667
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC NameN-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C23H22ClNO2/c1-25(16-17-8-4-2-5-9-17)23(27)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)26/h2-14,20,26H,15-16H2,1H3
InChIKeyQAAJDKJKNQYHAB-UHFFFAOYSA-N
XLogP5.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide (CID 2960667) is N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide is CN(Cc1ccccc1)C(=O)CC(c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is QAAJDKJKNQYHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-25(16-17-8-4-2-5-9-17)23(27)15-20(18-10-6-3-7-11-18)21-14-19(24)12-13-22(21)26/h2-14,20,26H,15-16H2,1H3.
What are the key properties of N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide?
N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 379.89 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 2960667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).