2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

C28H31FN2O4 — CID 118336010

IUPAC2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CCCCC2)cc1F
InChIInChI=1S/C28H31FN2O4/c1-34-26-11-9-20(14-24(26)29)16-31-28(33)23-15-21(27-22(17-32)8-5-13-30-27)10-12-25(23)35-18-19-6-3-2-4-7-19/h5,8-15,19,32H,2-4,6-7,16-18H2,1H3,(H,31,33)
InChIKeyURNDARBUZKLBPM-UHFFFAOYSA-N
MW478.56 g/mol
LogP5.28
Rot. Bonds9

About 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 118336010) has the molecular formula C28H31FN2O4 and a molecular weight of 478.56 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID118336010
Molecular FormulaC28H31FN2O4
Molecular Weight478.56 g/mol
Exact Mass478.23
IUPAC Name2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CCCCC2)cc1F
InChIInChI=1S/C28H31FN2O4/c1-34-26-11-9-20(14-24(26)29)16-31-28(33)23-15-21(27-22(17-32)8-5-13-30-27)10-12-25(23)35-18-19-6-3-2-4-7-19/h5,8-15,19,32H,2-4,6-7,16-18H2,1H3,(H,31,33)
InChIKeyURNDARBUZKLBPM-UHFFFAOYSA-N
XLogP5.28
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
Picotamide monohydrate
CID 6419975
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
8-(1-Anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
CID 16757576
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 54755602
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-vinylpyridin-3-yl)methyl]-2-naphthamide
CID 54755721
2-{[(4-Fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide
CID 67106997
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
N1,N1-Dimethyl-4-[(phenylmethyl)oxy]-N3-3-pyridinyl-1,3-benzenedicarboxamide
CID 69936757

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (CID 118336010) is 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is COc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OCC2CCCCC2)cc1F.
What is the InChIKey of 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is URNDARBUZKLBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O4/c1-34-26-11-9-20(14-24(26)29)16-31-28(33)23-15-21(27-22(17-32)8-5-13-30-27)10-12-25(23)35-18-19-6-3-2-4-7-19/h5,8-15,19,32H,2-4,6-7,16-18H2,1H3,(H,31,33).
What are the key properties of 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 478.56 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 118336010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).