2-(2-chloro-4-fluorophenoxy)-N-propylacetamide

C11H13ClFNO2 — CID 60624592

IUPAC2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7H2,1H3,(H,14,15)
InChIKeyJGCPAYFTAGFQFQ-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.38
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide

2-(2-chloro-4-fluorophenoxy)-N-propylacetamide (PubChem CID 60624592) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
PubChem CID60624592
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7H2,1H3,(H,14,15)
InChIKeyJGCPAYFTAGFQFQ-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107831753
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
2-[2-chloro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 113389961
2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744446
2-(2-chloro-4-fluorophenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112978965
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9011744
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide (CID 60624592) is 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide is CCCNC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide?
The InChIKey is JGCPAYFTAGFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-2-5-14-11(15)7-16-10-4-3-8(13)6-9(10)12/h3-4,6H,2,5,7H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide?
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide has a molecular weight of 245.68 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-propylacetamide is sourced from PubChem (CID 60624592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).