N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide

C20H24F2N2O3 — CID 172888533

IUPACN-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C(=O)N2CCOC(c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C20H24F2N2O3/c1-2-19(25)23-15-6-3-13(4-7-15)20(26)24-9-10-27-18(12-24)14-5-8-16(21)17(22)11-14/h2,5,8,11,13,15,18H,1,3-4,6-7,9-10,12H2,(H,23,25)
InChIKeyIHOBNPODSBDXMM-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.73
Rot. Bonds4

About N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide

N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide (PubChem CID 172888533) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
PubChem CID172888533
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC NameN-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C(=O)N2CCOC(c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C20H24F2N2O3/c1-2-19(25)23-15-6-3-13(4-7-15)20(26)24-9-10-27-18(12-24)14-5-8-16(21)17(22)11-14/h2,5,8,11,13,15,18H,1,3-4,6-7,9-10,12H2,(H,23,25)
InChIKeyIHOBNPODSBDXMM-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
N-[3-[2-(3-bromo-4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]prop-2-enamide
CID 139007875
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405304
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide (CID 172888533) is N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(C(=O)N2CCOC(c3ccc(F)c(F)c3)C2)CC1.
What is the InChIKey of N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide?
The InChIKey is IHOBNPODSBDXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-2-19(25)23-15-6-3-13(4-7-15)20(26)24-9-10-27-18(12-24)14-5-8-16(21)17(22)11-14/h2,5,8,11,13,15,18H,1,3-4,6-7,9-10,12H2,(H,23,25).
What are the key properties of N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide?
N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide has a molecular weight of 378.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 172888533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).