2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide

C21H18ClNO2 — CID 56672054

IUPAC2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CC(O)c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO2/c22-19-9-5-4-8-18(19)21(25)23-17-12-10-15(11-13-17)14-20(24)16-6-2-1-3-7-16/h1-13,20,24H,14H2,(H,23,25)
InChIKeyPITHTZJGIBVHTN-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.87
Rot. Bonds5

About 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide

2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide (PubChem CID 56672054) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide
PubChem CID56672054
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CC(O)c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H18ClNO2/c22-19-9-5-4-8-18(19)21(25)23-17-12-10-15(11-13-17)14-20(24)16-6-2-1-3-7-16/h1-13,20,24H,14H2,(H,23,25)
InChIKeyPITHTZJGIBVHTN-UHFFFAOYSA-N
XLogP4.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide (CID 56672054) is 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide is O=C(Nc1ccc(CC(O)c2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide?
The InChIKey is PITHTZJGIBVHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-19-9-5-4-8-18(19)21(25)23-17-12-10-15(11-13-17)14-20(24)16-6-2-1-3-7-16/h1-13,20,24H,14H2,(H,23,25).
What are the key properties of 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide?
2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide has a molecular weight of 351.83 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide is sourced from PubChem (CID 56672054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).