3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide

C16H16ClNO2 — CID 56765265

IUPAC3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-8-4-7-13(10-14)16(20)18-11-15(19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)
InChIKeyCDNBUMWRUFDWEM-UHFFFAOYSA-N
MW289.76 g/mol
LogP2.67
Rot. Bonds5

About 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide

3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide (PubChem CID 56765265) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide
PubChem CID56765265
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-8-4-7-13(10-14)16(20)18-11-15(19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20)
InChIKeyCDNBUMWRUFDWEM-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide (CID 56765265) is 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide is O=C(NCC(O)Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is CDNBUMWRUFDWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-8-4-7-13(10-14)16(20)18-11-15(19)9-12-5-2-1-3-6-12/h1-8,10,15,19H,9,11H2,(H,18,20).
What are the key properties of 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide?
3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 289.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 56765265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).