N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide

C20H23FN2O3 — CID 119754107

IUPACN-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C20H23FN2O3/c1-25-17-8-4-15(5-9-17)18(12-14-2-6-16(21)7-3-14)23-20(24)19-13-22-10-11-26-19/h2-9,18-19,22H,10-13H2,1H3,(H,23,24)
InChIKeyKBMIAVAVKIMPAN-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide

N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide (PubChem CID 119754107) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
PubChem CID119754107
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C20H23FN2O3/c1-25-17-8-4-15(5-9-17)18(12-14-2-6-16(21)7-3-14)23-20(24)19-13-22-10-11-26-19/h2-9,18-19,22H,10-13H2,1H3,(H,23,24)
InChIKeyKBMIAVAVKIMPAN-UHFFFAOYSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)pentyl]morpholine-2-carboxamide;hydrochloride
CID 119774281
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[2-(4-methylphenyl)-1-pyridin-3-ylethyl]morpholine-2-carboxamide;dihydrochloride
CID 91645725
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide
CID 95231724
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
N-[1-(2,4-difluorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119796312
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide (CID 119754107) is N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide is COc1ccc(C(Cc2ccc(F)cc2)NC(=O)C2CNCCO2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is KBMIAVAVKIMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-17-8-4-15(5-9-17)18(12-14-2-6-16(21)7-3-14)23-20(24)19-13-22-10-11-26-19/h2-9,18-19,22H,10-13H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119754107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).