4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride

C21H25ClF2N2O — CID 139726411

IUPAC4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCC(Cc2ccccc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24F2N2O.ClH/c22-19-7-5-17(6-8-19)21(26)24-11-14-25-12-9-16(10-13-25)15-18-3-1-2-4-20(18)23;/h1-8,16H,9-15H2,(H,24,26);1H
InChIKeyPBVRVKCSCNBWOE-UHFFFAOYSA-N
MW394.89 g/mol
LogP4.07
Rot. Bonds6

About 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride

4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 139726411) has the molecular formula C21H25ClF2N2O and a molecular weight of 394.89 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID139726411
Molecular FormulaC21H25ClF2N2O
Molecular Weight394.89 g/mol
Exact Mass394.16
IUPAC Name4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
SMILESCl.O=C(NCCN1CCC(Cc2ccccc2F)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24F2N2O.ClH/c22-19-7-5-17(6-8-19)21(26)24-11-14-25-12-9-16(10-13-25)15-18-3-1-2-4-20(18)23;/h1-8,16H,9-15H2,(H,24,26);1H
InChIKeyPBVRVKCSCNBWOE-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 139726376
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
CID 11742358
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
4-fluoro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10474964
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride (CID 139726411) is 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride is Cl.O=C(NCCN1CCC(Cc2ccccc2F)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is PBVRVKCSCNBWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O.ClH/c22-19-7-5-17(6-8-19)21(26)24-11-14-25-12-9-16(10-13-25)15-18-3-1-2-4-20(18)23;/h1-8,16H,9-15H2,(H,24,26);1H.
What are the key properties of 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride?
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 394.89 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 139726411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).