3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide

C31H27NO2 — CID 11775167

IUPAC3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C31H27NO2/c1-21(22-12-5-2-6-13-22)32-31(34)26-19-11-18-25(20-26)30(33)29-27(23-14-7-3-8-15-23)28(29)24-16-9-4-10-17-24/h2-21,27-29H,1H3,(H,32,34)/t21-,27-,28+,29?/m0/s1
InChIKeyNYRLYZJIZMMERJ-KTEHHTIKSA-N
MW445.56 g/mol
LogP6.56
Rot. Bonds7

About 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide

3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 11775167) has the molecular formula C31H27NO2 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID11775167
Molecular FormulaC31H27NO2
Molecular Weight445.56 g/mol
Exact Mass445.20
IUPAC Name3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C31H27NO2/c1-21(22-12-5-2-6-13-22)32-31(34)26-19-11-18-25(20-26)30(33)29-27(23-14-7-3-8-15-23)28(29)24-16-9-4-10-17-24/h2-21,27-29H,1H3,(H,32,34)/t21-,27-,28+,29?/m0/s1
InChIKeyNYRLYZJIZMMERJ-KTEHHTIKSA-N
XLogP6.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[[3-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoyl]amino]-2-phenylacetate
CID 101168963
3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 11408529
N-[(1S)-1-cyclohexylethyl]-3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzamide
CID 101168952
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
1-N-butyl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051078
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide (CID 11775167) is 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is NYRLYZJIZMMERJ-KTEHHTIKSA-N. The full InChI is InChI=1S/C31H27NO2/c1-21(22-12-5-2-6-13-22)32-31(34)26-19-11-18-25(20-26)30(33)29-27(23-14-7-3-8-15-23)28(29)24-16-9-4-10-17-24/h2-21,27-29H,1H3,(H,32,34)/t21-,27-,28+,29?/m0/s1.
What are the key properties of 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide?
3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 445.56 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 11775167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).