2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

C19H23ClN2O2 — CID 139020948

IUPAC2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN(C)Cc1cc(O)ccc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-14(15-7-5-4-6-8-15)22(3)19(24)13-21(2)12-16-11-17(23)9-10-18(16)20/h4-11,14,23H,12-13H2,1-3H3
InChIKeyQVWZOACQQMUJSE-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.70
Rot. Bonds6

About 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 139020948) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID139020948
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN(C)Cc1cc(O)ccc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-14(15-7-5-4-6-8-15)22(3)19(24)13-21(2)12-16-11-17(23)9-10-18(16)20/h4-11,14,23H,12-13H2,1-3H3
InChIKeyQVWZOACQQMUJSE-UHFFFAOYSA-N
XLogP3.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844
N-methyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-N-(1-phenylethyl)acetamide
CID 55572578
N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86913404
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 55365169
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
methyl(1-phenylethyl)carbamic acid
CID 67062794
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 62729336

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (CID 139020948) is 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CN(C)Cc1cc(O)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is QVWZOACQQMUJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(15-7-5-4-6-8-15)22(3)19(24)13-21(2)12-16-11-17(23)9-10-18(16)20/h4-11,14,23H,12-13H2,1-3H3.
What are the key properties of 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 139020948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).