N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide

C20H23ClN2O3 — CID 9115794

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccccc1O
InChIInChI=1S/C20H23ClN2O3/c1-2-23(20(26)12-9-16-5-3-4-6-18(16)24)14-19(25)22-13-15-7-10-17(21)11-8-15/h3-8,10-11,24H,2,9,12-14H2,1H3,(H,22,25)
InChIKeyZBNPHTQJANIBMR-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.14
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide (PubChem CID 9115794) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide
PubChem CID9115794
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccccc1O
InChIInChI=1S/C20H23ClN2O3/c1-2-23(20(26)12-9-16-5-3-4-6-18(16)24)14-19(25)22-13-15-7-10-17(21)11-8-15/h3-8,10-11,24H,2,9,12-14H2,1H3,(H,22,25)
InChIKeyZBNPHTQJANIBMR-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide (CID 9115794) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccccc1O.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide?
The InChIKey is ZBNPHTQJANIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-2-23(20(26)12-9-16-5-3-4-6-18(16)24)14-19(25)22-13-15-7-10-17(21)11-8-15/h3-8,10-11,24H,2,9,12-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 9115794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).