N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide

C14H18FNO2 — CID 71970609

IUPACN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-9(16-10(2)17)12-5-6-14(13(15)7-12)18-8-11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyBITJQXKJNARNKC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.81
Rot. Bonds5

About N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide

N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide (PubChem CID 71970609) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide
PubChem CID71970609
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-9(16-10(2)17)12-5-6-14(13(15)7-12)18-8-11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyBITJQXKJNARNKC-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide (CID 71970609) is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide?
The InChIKey is BITJQXKJNARNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(16-10(2)17)12-5-6-14(13(15)7-12)18-8-11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide?
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide has a molecular weight of 251.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]acetamide is sourced from PubChem (CID 71970609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).