(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide

C16H16F2N2O3 — CID 99601315

IUPAC(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)F)c1)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C16H16F2N2O3/c17-15(18)11-3-1-4-12(9-11)19-16(21)20-6-8-23-14(10-20)13-5-2-7-22-13/h1-5,7,9,14-15H,6,8,10H2,(H,19,21)/t14-/m0/s1
InChIKeyLTLYXNVZRNEUFN-AWEZNQCLSA-N
MW322.31 g/mol
LogP3.82
Rot. Bonds3

About (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide

(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide (PubChem CID 99601315) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide
PubChem CID99601315
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)F)c1)N1CCO[C@H](c2ccco2)C1
InChIInChI=1S/C16H16F2N2O3/c17-15(18)11-3-1-4-12(9-11)19-16(21)20-6-8-23-14(10-20)13-5-2-7-22-13/h1-5,7,9,14-15H,6,8,10H2,(H,19,21)/t14-/m0/s1
InChIKeyLTLYXNVZRNEUFN-AWEZNQCLSA-N
XLogP3.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-pyrazol-1-ylphenyl)-2-(furan-2-yl)morpholine-4-carboxamide
CID 126792095
2-(furan-2-yl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 126786711
1-[[3-(difluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078756
2-(furan-2-yl)-N-(5-thiophen-2-yl-1,2-oxazol-3-yl)morpholine-4-carboxamide
CID 167977980
N-[1-(2,3-dimethylphenyl)ethyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 136513669
(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
CID 124851606
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918
(3S,4S)-1-[[3-(difluoromethyl)phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122078746
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(furan-2-yl)morpholine-4-carboxamide
CID 124619649
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
(2R)-2-(5-methylfuran-2-yl)-N-[3-[(R)-methylsulfinyl]phenyl]morpholine-4-carboxamide
CID 97242640
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide (CID 99601315) is (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide is O=C(Nc1cccc(C(F)F)c1)N1CCO[C@H](c2ccco2)C1.
What is the InChIKey of (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide?
The InChIKey is LTLYXNVZRNEUFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-15(18)11-3-1-4-12(9-11)19-16(21)20-6-8-23-14(10-20)13-5-2-7-22-13/h1-5,7,9,14-15H,6,8,10H2,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide?
(2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(difluoromethyl)phenyl]-2-(furan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99601315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).