(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide

C17H14F3NO3 — CID 6923439

IUPAC(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)24-13-8-6-12(7-9-13)21-16(22)15-10-5-11-3-1-2-4-14(11)23-15/h1-4,6-9,15H,5,10H2,(H,21,22)/t15-/m1/s1
InChIKeySZODZFAIMDFVAA-OAHLLOKOSA-N
MW337.30 g/mol
LogP3.92
Rot. Bonds3

About (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 6923439) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID6923439
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)24-13-8-6-12(7-9-13)21-16(22)15-10-5-11-3-1-2-4-14(11)23-15/h1-4,6-9,15H,5,10H2,(H,21,22)/t15-/m1/s1
InChIKeySZODZFAIMDFVAA-OAHLLOKOSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.92
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
(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076172
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122303117
(2S,5R)-5-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 120782892
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
amino 3,4-dihydro-2H-chromene-2-carboxylate
CID 59060293
(2R)-4-(benzenesulfonyl)-6-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125074259
(2R)-6-chloro-4-methylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125074198
(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122287406
N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 122300947

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 6923439) is (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc2O1.
What is the InChIKey of (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is SZODZFAIMDFVAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)24-13-8-6-12(7-9-13)21-16(22)15-10-5-11-3-1-2-4-14(11)23-15/h1-4,6-9,15H,5,10H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 6923439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).