N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide

C20H18ClFN2O3 — CID 166411739

IUPACN-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(F)cc3Cl)C2)cc1
InChIInChI=1S/C20H18ClFN2O3/c1-2-19(25)23-15-6-3-13(4-7-15)20(26)24-9-10-27-18(12-24)16-8-5-14(22)11-17(16)21/h2-8,11,18H,1,9-10,12H2,(H,23,25)
InChIKeyIYBQZUMEXDPSNF-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.82
Rot. Bonds4

About N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide

N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide (PubChem CID 166411739) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
PubChem CID166411739
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC NameN-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(F)cc3Cl)C2)cc1
InChIInChI=1S/C20H18ClFN2O3/c1-2-19(25)23-15-6-3-13(4-7-15)20(26)24-9-10-27-18(12-24)16-8-5-14(22)11-17(16)21/h2-8,11,18H,1,9-10,12H2,(H,23,25)
InChIKeyIYBQZUMEXDPSNF-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.82
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

(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
N-[4-[2-(2,4-difluorophenyl)morpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166414107
N-[4-[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166411881
1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 99823003
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
[(2S)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618948
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 124618947
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166405289
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide (CID 166411739) is N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(F)cc3Cl)C2)cc1.
What is the InChIKey of N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
The InChIKey is IYBQZUMEXDPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c1-2-19(25)23-15-6-3-13(4-7-15)20(26)24-9-10-27-18(12-24)16-8-5-14(22)11-17(16)21/h2-8,11,18H,1,9-10,12H2,(H,23,25).
What are the key properties of N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide?
N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide has a molecular weight of 388.83 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166411739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).