N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide

C19H16N2O2 — CID 124761350

IUPACN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H16N2O2/c1-13(9-17-11-15-6-2-3-8-18(15)23-17)21-19(22)16-7-4-5-14(10-16)12-20/h2-8,10-11,13H,9H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyYNAYVVAYQJPREY-ZDUSSCGKSA-N
MW304.35 g/mol
LogP3.67
Rot. Bonds4

About N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide (PubChem CID 124761350) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
PubChem CID124761350
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide
SMILESC[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H16N2O2/c1-13(9-17-11-15-6-2-3-8-18(15)23-17)21-19(22)16-7-4-5-14(10-16)12-20/h2-8,10-11,13H,9H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyYNAYVVAYQJPREY-ZDUSSCGKSA-N
XLogP3.67
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983
N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
CID 121020585
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-cyanobenzamide
CID 51948764
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-chloro-6-fluorobenzamide
CID 124892455
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
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
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-cyano-N-(1-naphthalen-2-ylethyl)benzamide
CID 4824219
3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 7899681

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide?
The IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide (CID 124761350) is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide?
The canonical SMILES for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide is C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(C#N)c1.
What is the InChIKey of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide?
The InChIKey is YNAYVVAYQJPREY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13(9-17-11-15-6-2-3-8-18(15)23-17)21-19(22)16-7-4-5-14(10-16)12-20/h2-8,10-11,13H,9H2,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide?
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide has a molecular weight of 304.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-3-cyanobenzamide is sourced from PubChem (CID 124761350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).