4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide

C15H16F2N2O4 — CID 78905990

IUPAC4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)C=Cc2ccccc2OC(F)F)CCO1
InChIInChI=1S/C15H16F2N2O4/c16-15(17)23-11-4-2-1-3-10(11)5-6-13(20)19-7-8-22-12(9-19)14(18)21/h1-6,12,15H,7-9H2,(H2,18,21)
InChIKeyNTRZHBIZZLOVBR-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.01
Rot. Bonds5

About 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide

4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide (PubChem CID 78905990) has the molecular formula C15H16F2N2O4 and a molecular weight of 326.30 g/mol. Its IUPAC name is 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide
PubChem CID78905990
Molecular FormulaC15H16F2N2O4
Molecular Weight326.30 g/mol
Exact Mass326.11
IUPAC Name4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)C=Cc2ccccc2OC(F)F)CCO1
InChIInChI=1S/C15H16F2N2O4/c16-15(17)23-11-4-2-1-3-10(11)5-6-13(20)19-7-8-22-12(9-19)14(18)21/h1-6,12,15H,7-9H2,(H2,18,21)
InChIKeyNTRZHBIZZLOVBR-UHFFFAOYSA-N
XLogP1.01
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 126794452
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-1,4-diazepane-1-carboxamide
CID 72684452
4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 76918600
methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate
CID 78926628
ethyl 1-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]piperidine-3-carboxylate
CID 55527912
(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide
CID 94371381
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
(E)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 81208224
(E)-3-[2-(difluoromethoxy)phenyl]-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 55619626
(Z)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 97433134
(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-[2-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 24669754
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide?
The IUPAC name of 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide (CID 78905990) is 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide is NC(=O)C1CN(C(=O)C=Cc2ccccc2OC(F)F)CCO1.
What is the InChIKey of 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide?
The InChIKey is NTRZHBIZZLOVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4/c16-15(17)23-11-4-2-1-3-10(11)5-6-13(20)19-7-8-22-12(9-19)14(18)21/h1-6,12,15H,7-9H2,(H2,18,21).
What are the key properties of 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide?
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide has a molecular weight of 326.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide is sourced from PubChem (CID 78905990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).