N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide

C26H26ClFN2O — CID 46054475

IUPACN-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H26ClFN2O/c1-19-5-4-7-20(17-19)26(31)30(23-11-9-22(28)10-12-23)24-13-15-29(16-14-24)18-21-6-2-3-8-25(21)27/h2-12,17,24H,13-16,18H2,1H3
InChIKeySSLZXIPSCLVUBP-UHFFFAOYSA-N
MW436.96 g/mol
LogP6.10
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide

N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide (PubChem CID 46054475) has the molecular formula C26H26ClFN2O and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
PubChem CID46054475
Molecular FormulaC26H26ClFN2O
Molecular Weight436.96 g/mol
Exact Mass436.17
IUPAC NameN-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H26ClFN2O/c1-19-5-4-7-20(17-19)26(31)30(23-11-9-22(28)10-12-23)24-13-15-29(16-14-24)18-21-6-2-3-8-25(21)27/h2-12,17,24H,13-16,18H2,1H3
InChIKeySSLZXIPSCLVUBP-UHFFFAOYSA-N
XLogP6.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46052014
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46054282
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
CID 42858072
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
CID 46055125

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide (CID 46054475) is N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3Cl)CC2)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide?
The InChIKey is SSLZXIPSCLVUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2O/c1-19-5-4-7-20(17-19)26(31)30(23-11-9-22(28)10-12-23)24-13-15-29(16-14-24)18-21-6-2-3-8-25(21)27/h2-12,17,24H,13-16,18H2,1H3.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide?
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide has a molecular weight of 436.96 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 46054475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).