4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide

C15H13ClFNO2 — CID 43394547

IUPAC4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyAMGACDDPNWJGFX-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide

4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide (PubChem CID 43394547) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide
PubChem CID43394547
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyAMGACDDPNWJGFX-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide (CID 43394547) is 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide is O=C(NCC(O)c1ccccc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
The InChIKey is AMGACDDPNWJGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20).
What are the key properties of 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide?
4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide has a molecular weight of 293.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide is sourced from PubChem (CID 43394547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).