(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

C23H25F3N2O3 — CID 29256735

IUPAC(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)N1CCOCC1
InChIInChI=1S/C23H25F3N2O3/c1-15(28-9-11-30-12-10-28)22(29)27-14-17-13-16-5-4-7-19(21(16)31-17)18-6-2-3-8-20(18)23(24,25)26/h2-8,15,17H,9-14H2,1H3,(H,27,29)/t15-,17-/m1/s1
InChIKeyBBNBBRSUFKJKII-NVXWUHKLSA-N
MW434.46 g/mol
LogP3.51
Rot. Bonds5

About (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 29256735) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
PubChem CID29256735
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)N1CCOCC1
InChIInChI=1S/C23H25F3N2O3/c1-15(28-9-11-30-12-10-28)22(29)27-14-17-13-16-5-4-7-19(21(16)31-17)18-6-2-3-8-20(18)23(24,25)26/h2-8,15,17H,9-14H2,1H3,(H,27,29)/t15-,17-/m1/s1
InChIKeyBBNBBRSUFKJKII-NVXWUHKLSA-N
XLogP3.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26332714
3-methoxy-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 26399670
2,2-dimethyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide
CID 45192660
(2R)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-ylpropanamide
CID 30852978
(4S,6R)-6-methyl-2-sulfanylidene-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-diazinane-4-carboxamide
CID 45247446
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylpropanamide
CID 45154797
[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 141132370
N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 46090263
2-methyl-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]butanamide
CID 45206858
2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 174539381
N-[2-(2-hydroxyphenyl)ethyl]-2-morpholin-4-ylpropanamide
CID 110483744
[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599086

Frequently Asked Questions

What is the IUPAC name of (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (CID 29256735) is (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is C[C@H](C(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)N1CCOCC1.
What is the InChIKey of (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The InChIKey is BBNBBRSUFKJKII-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-15(28-9-11-30-12-10-28)22(29)27-14-17-13-16-5-4-7-19(21(16)31-17)18-6-2-3-8-20(18)23(24,25)26/h2-8,15,17H,9-14H2,1H3,(H,27,29)/t15-,17-/m1/s1.
What are the key properties of (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 434.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 29256735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).