N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide

C21H26FN3O2 — CID 119438130

IUPACN-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESCCNCc1cccc(NC(=O)C(c2ccccc2F)N2CCOCC2)c1
InChIInChI=1S/C21H26FN3O2/c1-2-23-15-16-6-5-7-17(14-16)24-21(26)20(25-10-12-27-13-11-25)18-8-3-4-9-19(18)22/h3-9,14,20,23H,2,10-13,15H2,1H3,(H,24,26)
InChIKeySMINZAMIMSCDNV-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.95
Rot. Bonds7

About N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide

N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide (PubChem CID 119438130) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
PubChem CID119438130
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESCCNCc1cccc(NC(=O)C(c2ccccc2F)N2CCOCC2)c1
InChIInChI=1S/C21H26FN3O2/c1-2-23-15-16-6-5-7-17(14-16)24-21(26)20(25-10-12-27-13-11-25)18-8-3-4-9-19(18)22/h3-9,14,20,23H,2,10-13,15H2,1H3,(H,24,26)
InChIKeySMINZAMIMSCDNV-UHFFFAOYSA-N
XLogP2.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-ylacetamide
CID 167824561
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-2-morpholin-4-ylacetamide
CID 120826501
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
(2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide
CID 97079846
2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide
CID 71927156
2-(4-chlorophenyl)-2-morpholin-4-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46977302
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71871802
2-(2-fluorophenyl)-2-morpholin-4-yl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 71927158
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 97217806
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71926685
(2S)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 97060478

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide (CID 119438130) is N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide is CCNCc1cccc(NC(=O)C(c2ccccc2F)N2CCOCC2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is SMINZAMIMSCDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-2-23-15-16-6-5-7-17(14-16)24-21(26)20(25-10-12-27-13-11-25)18-8-3-4-9-19(18)22/h3-9,14,20,23H,2,10-13,15H2,1H3,(H,24,26).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide?
N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 371.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 119438130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).