1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

C18H21FN2O5 — CID 3601027

IUPAC1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCC(=O)c1cc(F)ccc1OCC1CN(C(=O)C2(C(N)=O)CC2)CCO1
InChIInChI=1S/C18H21FN2O5/c1-11(22)14-8-12(19)2-3-15(14)26-10-13-9-21(6-7-25-13)17(24)18(4-5-18)16(20)23/h2-3,8,13H,4-7,9-10H2,1H3,(H2,20,23)
InChIKeyDNFNFUSCORFXSI-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.90
Rot. Bonds6

About 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (PubChem CID 3601027) has the molecular formula C18H21FN2O5 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
PubChem CID3601027
Molecular FormulaC18H21FN2O5
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCC(=O)c1cc(F)ccc1OCC1CN(C(=O)C2(C(N)=O)CC2)CCO1
InChIInChI=1S/C18H21FN2O5/c1-11(22)14-8-12(19)2-3-15(14)26-10-13-9-21(6-7-25-13)17(24)18(4-5-18)16(20)23/h2-3,8,13H,4-7,9-10H2,1H3,(H2,20,23)
InChIKeyDNFNFUSCORFXSI-UHFFFAOYSA-N
XLogP0.90
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3869012
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3694705
1-[2-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3311022
2-[[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]amino]ethyl 2-methylprop-2-enoate
CID 3857212
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-2-(4-methylphenyl)sulfonylethanone
CID 5154703
2-[(2-acetyl-4-fluorophenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide
CID 3678645
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 74228782
1-[2-[[4-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonyl]morpholin-2-yl]methoxy]-5-fluorophenyl]ethanone
CID 3447691
[(2R)-1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl] N-phenylcarbamate
CID 74224503
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3821360
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one
CID 3758604
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (CID 3601027) is 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is CC(=O)c1cc(F)ccc1OCC1CN(C(=O)C2(C(N)=O)CC2)CCO1.
What is the InChIKey of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is DNFNFUSCORFXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5/c1-11(22)14-8-12(19)2-3-15(14)26-10-13-9-21(6-7-25-13)17(24)18(4-5-18)16(20)23/h2-3,8,13H,4-7,9-10H2,1H3,(H2,20,23).
What are the key properties of 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 3601027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).