3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride

C19H23Cl2F2N3O — CID 119857402

IUPAC3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H21F2N3O.2ClH/c20-17-5-4-13(10-18(17)21)12-24-8-6-16(7-9-24)23-19(25)14-2-1-3-15(22)11-14;;/h1-5,10-11,16H,6-9,12,22H2,(H,23,25);2*1H
InChIKeyHYSGDNBGYLOPTG-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.79
Rot. Bonds4

About 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride

3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride (PubChem CID 119857402) has the molecular formula C19H23Cl2F2N3O and a molecular weight of 418.32 g/mol. Its IUPAC name is 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
PubChem CID119857402
Molecular FormulaC19H23Cl2F2N3O
Molecular Weight418.32 g/mol
Exact Mass417.12
IUPAC Name3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H21F2N3O.2ClH/c20-17-5-4-13(10-18(17)21)12-24-8-6-16(7-9-24)23-19(25)14-2-1-3-15(22)11-14;;/h1-5,10-11,16H,6-9,12,22H2,(H,23,25);2*1H
InChIKeyHYSGDNBGYLOPTG-UHFFFAOYSA-N
XLogP3.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 119888128
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55950566
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119857377
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride (CID 119857402) is 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride?
The InChIKey is HYSGDNBGYLOPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O.2ClH/c20-17-5-4-13(10-18(17)21)12-24-8-6-16(7-9-24)23-19(25)14-2-1-3-15(22)11-14;;/h1-5,10-11,16H,6-9,12,22H2,(H,23,25);2*1H.
What are the key properties of 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride?
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride has a molecular weight of 418.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride is sourced from PubChem (CID 119857402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).