2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide

C14H19ClFN3O2 — CID 81497379

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(N)C1CN(CC(=O)Nc2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C14H19ClFN3O2/c1-9(17)13-7-19(4-5-21-13)8-14(20)18-10-2-3-12(16)11(15)6-10/h2-3,6,9,13H,4-5,7-8,17H2,1H3,(H,18,20)
InChIKeyDJEFFGDKPGDJMQ-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.47
Rot. Bonds4

About 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 81497379) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID81497379
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(N)C1CN(CC(=O)Nc2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C14H19ClFN3O2/c1-9(17)13-7-19(4-5-21-13)8-14(20)18-10-2-3-12(16)11(15)6-10/h2-3,6,9,13H,4-5,7-8,17H2,1H3,(H,18,20)
InChIKeyDJEFFGDKPGDJMQ-UHFFFAOYSA-N
XLogP1.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 81497038
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-bromophenyl)acetamide
CID 81490207
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2-chlorophenyl)acetamide
CID 81490299
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
CID 81490374
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
CID 81497387
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
CID 81497407
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 103576696
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
N-[4-[[2-(1-aminoethyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 115314944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 81497379) is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide is CC(N)C1CN(CC(=O)Nc2ccc(F)c(Cl)c2)CCO1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is DJEFFGDKPGDJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O2/c1-9(17)13-7-19(4-5-21-13)8-14(20)18-10-2-3-12(16)11(15)6-10/h2-3,6,9,13H,4-5,7-8,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 315.78 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 81497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).