N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide

C19H16F3NO2 — CID 124759381

IUPACN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3NO2/c1-12(10-14-11-13-6-2-5-9-17(13)25-14)23-18(24)15-7-3-4-8-16(15)19(20,21)22/h2-9,11-12H,10H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyDNSNIHPZIDTXCX-LBPRGKRZSA-N
MW347.34 g/mol
LogP4.81
Rot. Bonds4

About N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 124759381) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID124759381
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3NO2/c1-12(10-14-11-13-6-2-5-9-17(13)25-14)23-18(24)15-7-3-4-8-16(15)19(20,21)22/h2-9,11-12H,10H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyDNSNIHPZIDTXCX-LBPRGKRZSA-N
XLogP4.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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]furan-3-carboxamide
CID 124891983
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
CID 124725331
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119104171
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
CID 124892455
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
CID 124761350
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-(2-fluorophenyl)propanamide
CID 121021346

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide (CID 124759381) is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide is C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is DNSNIHPZIDTXCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-12(10-14-11-13-6-2-5-9-17(13)25-14)23-18(24)15-7-3-4-8-16(15)19(20,21)22/h2-9,11-12H,10H2,1H3,(H,23,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide?
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 347.34 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 124759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).