N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide

C21H23NO3 — CID 23366095

IUPACN-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide
SMILESO=C(NC1C2CCC(C2)C1O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H23NO3/c23-20-17-7-6-16(12-17)19(20)22-21(24)15-8-10-18(11-9-15)25-13-14-4-2-1-3-5-14/h1-5,8-11,16-17,19-20,23H,6-7,12-13H2,(H,22,24)
InChIKeyCILFJEWZFFVRKH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.15
Rot. Bonds5

About N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide

N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide (PubChem CID 23366095) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide
PubChem CID23366095
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide
SMILESO=C(NC1C2CCC(C2)C1O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H23NO3/c23-20-17-7-6-16(12-17)19(20)22-21(24)15-8-10-18(11-9-15)25-13-14-4-2-1-3-5-14/h1-5,8-11,16-17,19-20,23H,6-7,12-13H2,(H,22,24)
InChIKeyCILFJEWZFFVRKH-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide
CID 67840213
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-(2-adamantyl)-3-phenylmethoxybenzamide
CID 1314081
N-(2-oxo-1,3-dihydroinden-1-yl)-4-phenylmethoxybenzamide
CID 23366092
N-[(3S,4S)-1-benzyl-4-hydroxyazepan-3-yl]-4-phenylmethoxybenzamide
CID 10836395
4-phenylmethoxybenzoic acid
CID 68896574
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide
CID 144708687
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide (CID 23366095) is N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide is O=C(NC1C2CCC(C2)C1O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide?
The InChIKey is CILFJEWZFFVRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20-17-7-6-16(12-17)19(20)22-21(24)15-8-10-18(11-9-15)25-13-14-4-2-1-3-5-14/h1-5,8-11,16-17,19-20,23H,6-7,12-13H2,(H,22,24).
What are the key properties of N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide?
N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide has a molecular weight of 337.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 23366095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).