(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide

C14H15FN2O3 — CID 94371381

IUPAC(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)/C=C/c2cccc(F)c2)CCO1
InChIInChI=1S/C14H15FN2O3/c15-11-3-1-2-10(8-11)4-5-13(18)17-6-7-20-12(9-17)14(16)19/h1-5,8,12H,6-7,9H2,(H2,16,19)/b5-4+/t12-/m1/s1
InChIKeyBRWASOLMLILRGL-ZYOFXKKJSA-N
MW278.28 g/mol
LogP0.55
Rot. Bonds3

About (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide

(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide (PubChem CID 94371381) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide
PubChem CID94371381
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)/C=C/c2cccc(F)c2)CCO1
InChIInChI=1S/C14H15FN2O3/c15-11-3-1-2-10(8-11)4-5-13(18)17-6-7-20-12(9-17)14(16)19/h1-5,8,12H,6-7,9H2,(H2,16,19)/b5-4+/t12-/m1/s1
InChIKeyBRWASOLMLILRGL-ZYOFXKKJSA-N
XLogP0.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.55
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

2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420759
1-(3-aminopiperidin-1-yl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 126795120
4-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905980
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756
(E)-3-(3-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 107224874
(E)-3-(3-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415685
3-(3-fluorophenyl)-1-[(3S)-4-[3-(3-fluorophenyl)prop-2-enoyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 78906132
(E)-3-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
CID 113290787
1-[3-(3-fluorophenyl)prop-2-enoyl]azetidine-3-carboxylic acid
CID 77034563
(E)-3-(3-fluorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 43422389
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905990
1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 74868259

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide (CID 94371381) is (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)/C=C/c2cccc(F)c2)CCO1.
What is the InChIKey of (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide?
The InChIKey is BRWASOLMLILRGL-ZYOFXKKJSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-11-3-1-2-10(8-11)4-5-13(18)17-6-7-20-12(9-17)14(16)19/h1-5,8,12H,6-7,9H2,(H2,16,19)/b5-4+/t12-/m1/s1.
What are the key properties of (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide?
(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide is sourced from PubChem (CID 94371381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).