2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C14H18ClFN2O3 — CID 134002654

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C14H18ClFN2O3/c15-12-9-11(1-2-13(12)16)21-10-14(19)17-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19)
InChIKeySGPHEXOBUBCBMF-UHFFFAOYSA-N
MW316.76 g/mol
LogP1.31
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 134002654) has the molecular formula C14H18ClFN2O3 and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID134002654
Molecular FormulaC14H18ClFN2O3
Molecular Weight316.76 g/mol
Exact Mass316.10
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C14H18ClFN2O3/c15-12-9-11(1-2-13(12)16)21-10-14(19)17-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19)
InChIKeySGPHEXOBUBCBMF-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 51159372
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112778726
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196142
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
2-(2-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 112977303

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 134002654) is 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide is O=C(COc1ccc(F)c(Cl)c1)NCCN1CCOCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is SGPHEXOBUBCBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3/c15-12-9-11(1-2-13(12)16)21-10-14(19)17-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 316.76 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 134002654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).