(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H12F3NO3 — CID 9076172

IUPAC(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)23-12-7-5-11(6-8-12)20-15(21)14-9-10-3-1-2-4-13(10)22-14/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1
InChIKeyBYTLPCXXYXCLND-AWEZNQCLSA-N
MW323.27 g/mol
LogP3.53
Rot. Bonds3

About (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9076172) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9076172
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H12F3NO3/c17-16(18,19)23-12-7-5-11(6-8-12)20-15(21)14-9-10-3-1-2-4-13(10)22-14/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1
InChIKeyBYTLPCXXYXCLND-AWEZNQCLSA-N
XLogP3.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076169
(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 6923439
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166224450
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 58310844
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9076172) is (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BYTLPCXXYXCLND-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12F3NO3/c17-16(18,19)23-12-7-5-11(6-8-12)20-15(21)14-9-10-3-1-2-4-13(10)22-14/h1-8,14H,9H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 323.27 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9076172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).