2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

C18H17F2NO4 — CID 97244048

IUPAC2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1F)c1ccco1
InChIInChI=1S/C18H17F2NO4/c19-13-4-3-12(15(20)9-13)8-18(23)21-5-7-24-11-14(21)10-16(22)17-2-1-6-25-17/h1-4,6,9,14H,5,7-8,10-11H2/t14-/m1/s1
InChIKeyTZJHSJRMVCJHKN-CQSZACIVSA-N
MW349.33 g/mol
LogP2.60
Rot. Bonds5

About 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone

2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (PubChem CID 97244048) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
PubChem CID97244048
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESO=C(C[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1F)c1ccco1
InChIInChI=1S/C18H17F2NO4/c19-13-4-3-12(15(20)9-13)8-18(23)21-5-7-24-11-14(21)10-16(22)17-2-1-6-25-17/h1-4,6,9,14H,5,7-8,10-11H2/t14-/m1/s1
InChIKeyTZJHSJRMVCJHKN-CQSZACIVSA-N
XLogP2.60
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97059723
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 75389849
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
CID 97244053
2-[(3S)-4-(3-chloropyridine-4-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244027
2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586170
N-(2-fluorophenyl)-3-[3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]propanamide
CID 154750383
(2S)-1-[(3R)-3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]-2-(1-methylpyrazol-4-yl)propan-1-one
CID 97244040
1-(furan-2-yl)-2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-3-yl]ethanone
CID 75389850

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone (CID 97244048) is 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is O=C(C[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1F)c1ccco1.
What is the InChIKey of 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
The InChIKey is TZJHSJRMVCJHKN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17F2NO4/c19-13-4-3-12(15(20)9-13)8-18(23)21-5-7-24-11-14(21)10-16(22)17-2-1-6-25-17/h1-4,6,9,14H,5,7-8,10-11H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone?
2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone has a molecular weight of 349.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 97244048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).