4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide

C23H21NO3 — CID 154861680

IUPAC4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(O)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-16(21(25)17-8-4-2-5-9-17)24-23(27)20-14-12-19(13-15-20)22(26)18-10-6-3-7-11-18/h2-16,21,25H,1H3,(H,24,27)
InChIKeyXZSKUGFZRUDAKV-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.77
Rot. Bonds6

About 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide

4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide (PubChem CID 154861680) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
PubChem CID154861680
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(O)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-16(21(25)17-8-4-2-5-9-17)24-23(27)20-14-12-19(13-15-20)22(26)18-10-6-3-7-11-18/h2-16,21,25H,1H3,(H,24,27)
InChIKeyXZSKUGFZRUDAKV-UHFFFAOYSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
CID 54110010
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide (CID 154861680) is 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide is CC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(O)c1ccccc1.
What is the InChIKey of 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
The InChIKey is XZSKUGFZRUDAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16(21(25)17-8-4-2-5-9-17)24-23(27)20-14-12-19(13-15-20)22(26)18-10-6-3-7-11-18/h2-16,21,25H,1H3,(H,24,27).
What are the key properties of 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide?
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 154861680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).