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

C32H29NO2 — CID 11408529

IUPAC3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C32H29NO2/c1-22(23-12-5-2-6-13-23)21-33-32(35)27-19-11-18-26(20-27)31(34)30-28(24-14-7-3-8-15-24)29(30)25-16-9-4-10-17-25/h2-20,22,28-30H,21H2,1H3,(H,33,35)/t22-,28-,29+,30?/m1/s1
InChIKeyFOQQDMKHLSATHS-WWYQCXJDSA-N
MW459.59 g/mol
LogP6.60
Rot. Bonds8

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

3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 11408529) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID11408529
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C32H29NO2/c1-22(23-12-5-2-6-13-23)21-33-32(35)27-19-11-18-26(20-27)31(34)30-28(24-14-7-3-8-15-24)29(30)25-16-9-4-10-17-25/h2-20,22,28-30H,21H2,1H3,(H,33,35)/t22-,28-,29+,30?/m1/s1
InChIKeyFOQQDMKHLSATHS-WWYQCXJDSA-N
XLogP6.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
CID 11775167
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide (CID 11408529) is 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide is C[C@H](CNC(=O)c1cccc(C(=O)C2[C@@H](c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is FOQQDMKHLSATHS-WWYQCXJDSA-N. The full InChI is InChI=1S/C32H29NO2/c1-22(23-12-5-2-6-13-23)21-33-32(35)27-19-11-18-26(20-27)31(34)30-28(24-14-7-3-8-15-24)29(30)25-16-9-4-10-17-25/h2-20,22,28-30H,21H2,1H3,(H,33,35)/t22-,28-,29+,30?/m1/s1.
What are the key properties of 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide?
3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide has a molecular weight of 459.59 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-2,3-diphenylcyclopropanecarbonyl]-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 11408529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).