2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide

C26H26F2N2O3 — CID 46055071

IUPAC2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c1O
InChIInChI=1S/C26H26F2N2O3/c1-33-24-8-4-5-18(25(24)31)17-29-15-13-21(14-16-29)30(20-11-9-19(27)10-12-20)26(32)22-6-2-3-7-23(22)28/h2-12,21,31H,13-17H2,1H3
InChIKeyIAMGDPPGNFQDBP-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.99
Rot. Bonds6

About 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide

2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46055071) has the molecular formula C26H26F2N2O3 and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46055071
Molecular FormulaC26H26F2N2O3
Molecular Weight452.50 g/mol
Exact Mass452.19
IUPAC Name2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c1O
InChIInChI=1S/C26H26F2N2O3/c1-33-24-8-4-5-18(25(24)31)17-29-15-13-21(14-16-29)30(20-11-9-19(27)10-12-20)26(32)22-6-2-3-7-23(22)28/h2-12,21,31H,13-17H2,1H3
InChIKeyIAMGDPPGNFQDBP-UHFFFAOYSA-N
XLogP4.99
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 46047958
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 46054931
2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
CID 42853384
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 46161824
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide (CID 46055071) is 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide is COc1cccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)c1O.
What is the InChIKey of 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is IAMGDPPGNFQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O3/c1-33-24-8-4-5-18(25(24)31)17-29-15-13-21(14-16-29)30(20-11-9-19(27)10-12-20)26(32)22-6-2-3-7-23(22)28/h2-12,21,31H,13-17H2,1H3.
What are the key properties of 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 452.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46055071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).