3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide

C16H16FNO2 — CID 122623278

IUPAC3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide
SMILESNC(=O)c1ccc(CCCO)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c17-14-7-5-12(6-8-14)15-10-13(16(18)20)4-3-11(15)2-1-9-19/h3-8,10,19H,1-2,9H2,(H2,18,20)
InChIKeyQDVRUQCYYCVULV-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.52
Rot. Bonds5

About 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide

3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide (PubChem CID 122623278) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide
PubChem CID122623278
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide
SMILESNC(=O)c1ccc(CCCO)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c17-14-7-5-12(6-8-14)15-10-13(16(18)20)4-3-11(15)2-1-9-19/h3-8,10,19H,1-2,9H2,(H2,18,20)
InChIKeyQDVRUQCYYCVULV-UHFFFAOYSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide (CID 122623278) is 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide is NC(=O)c1ccc(CCCO)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide?
The InChIKey is QDVRUQCYYCVULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-7-5-12(6-8-14)15-10-13(16(18)20)4-3-11(15)2-1-9-19/h3-8,10,19H,1-2,9H2,(H2,18,20).
What are the key properties of 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide?
3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 122623278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).