4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide

C17H17ClN2O3 — CID 2764061

IUPAC4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-14-8-6-13(7-9-14)17(23)19-10-16(22)20-15(11-21)12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22)
InChIKeyIWUOBWOOVYKYKH-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.92
Rot. Bonds6

About 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 2764061) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide
PubChem CID2764061
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-14-8-6-13(7-9-14)17(23)19-10-16(22)20-15(11-21)12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22)
InChIKeyIWUOBWOOVYKYKH-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide (CID 2764061) is 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)NC(CO)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is IWUOBWOOVYKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-8-6-13(7-9-14)17(23)19-10-16(22)20-15(11-21)12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,19,23)(H,20,22).
What are the key properties of 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2-hydroxy-1-phenylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2764061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).