N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C21H20F3NO2 — CID 119104171

IUPACN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO2/c1-14(12-18-13-16-4-2-3-5-19(16)27-18)25-20(26)11-8-15-6-9-17(10-7-15)21(22,23)24/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,25,26)
InChIKeyRZABDNUEOKCHLU-UHFFFAOYSA-N
MW375.39 g/mol
LogP5.13
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 119104171) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID119104171
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1cc2ccccc2o1)NC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO2/c1-14(12-18-13-16-4-2-3-5-19(16)27-18)25-20(26)11-8-15-6-9-17(10-7-15)21(22,23)24/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,25,26)
InChIKeyRZABDNUEOKCHLU-UHFFFAOYSA-N
XLogP5.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124760702
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[1-(1-benzofuran-2-yl)propan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 119104163
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 119104171) is N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC(Cc1cc2ccccc2o1)NC(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RZABDNUEOKCHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-14(12-18-13-16-4-2-3-5-19(16)27-18)25-20(26)11-8-15-6-9-17(10-7-15)21(22,23)24/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,25,26).
What are the key properties of N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 375.39 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 119104171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).