4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide

C15H18FN3O2 — CID 83098273

IUPAC4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1cc(F)cc(C#N)c1
InChIInChI=1S/C15H18FN3O2/c1-2-18-15(20)14-10-21-4-3-19(14)9-12-5-11(8-17)6-13(16)7-12/h5-7,14H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyBKEALWSCRLAEKP-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.03
Rot. Bonds4

About 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide

4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83098273) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83098273
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1cc(F)cc(C#N)c1
InChIInChI=1S/C15H18FN3O2/c1-2-18-15(20)14-10-21-4-3-19(14)9-12-5-11(8-17)6-13(16)7-12/h5-7,14H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyBKEALWSCRLAEKP-UHFFFAOYSA-N
XLogP1.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-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

methyl 4-[(3-cyano-5-fluorophenyl)methyl]morpholine-3-carboxylate
CID 104775050
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
N-ethyl-4-[[6-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83105484
4-[(3-carbamothioyl-5-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83098928
4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83097776
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 114481288
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide (CID 83098273) is 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1Cc1cc(F)cc(C#N)c1.
What is the InChIKey of 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is BKEALWSCRLAEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-18-15(20)14-10-21-4-3-19(14)9-12-5-11(8-17)6-13(16)7-12/h5-7,14H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).