N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide

C20H23ClFN2O+ — CID 8934739

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C20H22ClFN2O/c1-14-2-5-16(12-19(14)22)20(25)23-18-8-10-24(11-9-18)13-15-3-6-17(21)7-4-15/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)/p+1
InChIKeyONMMEDGYDVAHBX-UHFFFAOYSA-O
MW361.87 g/mol
LogP2.76
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide (PubChem CID 8934739) has the molecular formula C20H23ClFN2O+ and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide
PubChem CID8934739
Molecular FormulaC20H23ClFN2O+
Molecular Weight361.87 g/mol
Exact Mass361.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C20H22ClFN2O/c1-14-2-5-16(12-19(14)22)20(25)23-18-8-10-24(11-9-18)13-15-3-6-17(21)7-4-15/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)/p+1
InChIKeyONMMEDGYDVAHBX-UHFFFAOYSA-O
XLogP2.76
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide
CID 8590292
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,4-dimethoxybenzamide
CID 8590009
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-propan-2-ylbenzamide
CID 8589992
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2,5-dimethylbenzamide
CID 8590026
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfonylbenzamide
CID 8590224
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide
CID 8590046
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(4-methylphenyl)prop-2-enamide
CID 8590205
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 8590207
[2-chloro-5-[(1-ethylpiperidin-1-ium-4-yl)carbamoyl]phenyl]sulfonyl-(4-chlorophenyl)azanide
CID 36813205
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-oxo-4-phenylbutanamide
CID 8590176

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide (CID 8934739) is N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide?
The InChIKey is ONMMEDGYDVAHBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22ClFN2O/c1-14-2-5-16(12-19(14)22)20(25)23-18-8-10-24(11-9-18)13-15-3-6-17(21)7-4-15/h2-7,12,18H,8-11,13H2,1H3,(H,23,25)/p+1.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide has a molecular weight of 361.87 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 8934739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).