N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide

C14H18FNO2 — CID 52992734

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FNO2/c1-14(18,11-4-5-11)9-16-13(17)8-10-2-6-12(15)7-3-10/h2-3,6-7,11,18H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyXNSAEEZMAWTXIQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.65
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide

N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide (PubChem CID 52992734) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide
PubChem CID52992734
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H18FNO2/c1-14(18,11-4-5-11)9-16-13(17)8-10-2-6-12(15)7-3-10/h2-3,6-7,11,18H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyXNSAEEZMAWTXIQ-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide (CID 52992734) is N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide is CC(O)(CNC(=O)Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is XNSAEEZMAWTXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(18,11-4-5-11)9-16-13(17)8-10-2-6-12(15)7-3-10/h2-3,6-7,11,18H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 52992734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).