2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide

C13H17ClFN3O2 — CID 114394862

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
SMILESNCC1CN(CC(=O)Nc2ccc(Cl)cc2F)CCO1
InChIInChI=1S/C13H17ClFN3O2/c14-9-1-2-12(11(15)5-9)17-13(19)8-18-3-4-20-10(6-16)7-18/h1-2,5,10H,3-4,6-8,16H2,(H,17,19)
InChIKeyJMXVABPDGZWHCE-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.08
Rot. Bonds4

About 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide

2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 114394862) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
PubChem CID114394862
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
SMILESNCC1CN(CC(=O)Nc2ccc(Cl)cc2F)CCO1
InChIInChI=1S/C13H17ClFN3O2/c14-9-1-2-12(11(15)5-9)17-13(19)8-18-3-4-20-10(6-16)7-18/h1-2,5,10H,3-4,6-8,16H2,(H,17,19)
InChIKeyJMXVABPDGZWHCE-UHFFFAOYSA-N
XLogP1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide 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-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 81497038
2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
CID 114394940
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81206082
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
N-(5-amino-2-fluorophenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562303
1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030998
N-(4-chloro-2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371379
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 81195028
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 40952888

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide (CID 114394862) is 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide is NCC1CN(CC(=O)Nc2ccc(Cl)cc2F)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is JMXVABPDGZWHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O2/c14-9-1-2-12(11(15)5-9)17-13(19)8-18-3-4-20-10(6-16)7-18/h1-2,5,10H,3-4,6-8,16H2,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide has a molecular weight of 301.75 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 114394862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).