4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide

C13H18FN3O2 — CID 83106722

IUPAC4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccc(N)c(F)c1
InChIInChI=1S/C13H18FN3O2/c1-16-13(18)12-8-19-5-4-17(12)7-9-2-3-11(15)10(14)6-9/h2-3,6,12H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyRXBDWPPYDJQSKN-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.35
Rot. Bonds3

About 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide

4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83106722) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID83106722
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccc(N)c(F)c1
InChIInChI=1S/C13H18FN3O2/c1-16-13(18)12-8-19-5-4-17(12)7-9-2-3-11(15)10(14)6-9/h2-3,6,12H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyRXBDWPPYDJQSKN-UHFFFAOYSA-N
XLogP0.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide 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

4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086
4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83103647
4-[(3-carbamothioyl-5-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83098928
4-[(3-amino-5-bromophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 103350002
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
4-[3-(4-fluorophenyl)-2-oxopropyl]-N-methylmorpholine-3-carboxamide
CID 83101284
4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83097776
4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 112751291

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide (CID 83106722) is 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1Cc1ccc(N)c(F)c1.
What is the InChIKey of 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is RXBDWPPYDJQSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-16-13(18)12-8-19-5-4-17(12)7-9-2-3-11(15)10(14)6-9/h2-3,6,12H,4-5,7-8,15H2,1H3,(H,16,18).
What are the key properties of 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide?
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).