3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C23H21NO2 — CID 4842813

IUPAC3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H21NO2/c25-23(24-22-15-7-9-17-8-4-5-14-21(17)22)18-10-6-13-20(16-18)26-19-11-2-1-3-12-19/h1-6,8,10-14,16,22H,7,9,15H2,(H,24,25)
InChIKeyOLLKTVDWWBMFTK-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.29
Rot. Bonds4

About 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 4842813) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID4842813
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H21NO2/c25-23(24-22-15-7-9-17-8-4-5-14-21(17)22)18-10-6-13-20(16-18)26-19-11-2-1-3-12-19/h1-6,8,10-14,16,22H,7,9,15H2,(H,24,25)
InChIKeyOLLKTVDWWBMFTK-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511356
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95089113
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide
CID 9253250
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 151875161
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92882436
3-[3-(aminomethyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 134158405
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 4842813) is 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is OLLKTVDWWBMFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-23(24-22-15-7-9-17-8-4-5-14-21(17)22)18-10-6-13-20(16-18)26-19-11-2-1-3-12-19/h1-6,8,10-14,16,22H,7,9,15H2,(H,24,25).
What are the key properties of 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 4842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).