N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide

C27H28F2N2O — CID 46052014

IUPACN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C27H28F2N2O/c1-19-6-10-24(11-7-19)31(27(32)21-5-3-4-20(2)16-21)25-12-14-30(15-13-25)18-22-8-9-23(28)17-26(22)29/h3-11,16-17,25H,12-15,18H2,1-2H3
InChIKeyPOFCDYXOSKDTCJ-UHFFFAOYSA-N
MW434.53 g/mol
LogP5.89
Rot. Bonds5

About N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide (PubChem CID 46052014) has the molecular formula C27H28F2N2O and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
PubChem CID46052014
Molecular FormulaC27H28F2N2O
Molecular Weight434.53 g/mol
Exact Mass434.22
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C27H28F2N2O/c1-19-6-10-24(11-7-19)31(27(32)21-5-3-4-20(2)16-21)25-12-14-30(15-13-25)18-22-8-9-23(28)17-26(22)29/h3-11,16-17,25H,12-15,18H2,1-2H3
InChIKeyPOFCDYXOSKDTCJ-UHFFFAOYSA-N
XLogP5.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
CID 46054475
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-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
CID 46055125
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
4-fluoro-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46048142
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide (CID 46052014) is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide is Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is POFCDYXOSKDTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O/c1-19-6-10-24(11-7-19)31(27(32)21-5-3-4-20(2)16-21)25-12-14-30(15-13-25)18-22-8-9-23(28)17-26(22)29/h3-11,16-17,25H,12-15,18H2,1-2H3.
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide?
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 434.53 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 46052014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).