N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide

C21H23FN2O3 — CID 155620427

IUPACN-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3C4CCCC3CC4)cc2)cc(F)c1O
InChIInChI=1S/C21H23FN2O3/c1-27-19-12-13(11-18(22)20(19)25)21(26)23-14-5-7-17(8-6-14)24-15-3-2-4-16(24)10-9-15/h5-8,11-12,15-16,25H,2-4,9-10H2,1H3,(H,23,26)
InChIKeyCBPMDYGJRIGUHJ-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.31
Rot. Bonds4

About N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide

N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide (PubChem CID 155620427) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
PubChem CID155620427
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3C4CCCC3CC4)cc2)cc(F)c1O
InChIInChI=1S/C21H23FN2O3/c1-27-19-12-13(11-18(22)20(19)25)21(26)23-14-5-7-17(8-6-14)24-15-3-2-4-16(24)10-9-15/h5-8,11-12,15-16,25H,2-4,9-10H2,1H3,(H,23,26)
InChIKeyCBPMDYGJRIGUHJ-UHFFFAOYSA-N
XLogP4.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620473
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
3-fluoro-4-hydroxy-5-methoxy-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170688004
N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 2973116
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
CID 14638301
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide
CID 155620399
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide (CID 155620427) is N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide is COc1cc(C(=O)Nc2ccc(N3C4CCCC3CC4)cc2)cc(F)c1O.
What is the InChIKey of N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide?
The InChIKey is CBPMDYGJRIGUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-27-19-12-13(11-18(22)20(19)25)21(26)23-14-5-7-17(8-6-14)24-15-3-2-4-16(24)10-9-15/h5-8,11-12,15-16,25H,2-4,9-10H2,1H3,(H,23,26).
What are the key properties of N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide?
N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide has a molecular weight of 370.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 155620427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).