4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide

C21H20N2O2 — CID 39952477

IUPAC4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C21H20N2O2/c1-16(19-6-5-13-22-14-19)23-21(24)18-11-9-17(10-12-18)15-25-20-7-3-2-4-8-20/h2-14,16H,15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyQEKLNPBILULOHJ-MRXNPFEDSA-N
MW332.40 g/mol
LogP4.15
Rot. Bonds6

About 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide

4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide (PubChem CID 39952477) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
PubChem CID39952477
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C21H20N2O2/c1-16(19-6-5-13-22-14-19)23-21(24)18-11-9-17(10-12-18)15-25-20-7-3-2-4-8-20/h2-14,16H,15H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyQEKLNPBILULOHJ-MRXNPFEDSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 94822134
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide (CID 39952477) is 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)c1cccnc1.
What is the InChIKey of 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is QEKLNPBILULOHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16(19-6-5-13-22-14-19)23-21(24)18-11-9-17(10-12-18)15-25-20-7-3-2-4-8-20/h2-14,16H,15H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 39952477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).