2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

C19H23Cl2F2N3O — CID 141257396

IUPAC2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1.Cl.Cl
InChIInChI=1S/C19H21F2N3O.2ClH/c1-24-9-7-14(8-10-24)22-15-3-2-4-16(12-15)23-19(25)17-11-13(20)5-6-18(17)21;;/h2-6,11-12,14,22H,7-10H2,1H3,(H,23,25);2*1H
InChIKeyYGZYRJHLCCGMHP-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.57
Rot. Bonds4

About 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (PubChem CID 141257396) has the molecular formula C19H23Cl2F2N3O and a molecular weight of 418.32 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
PubChem CID141257396
Molecular FormulaC19H23Cl2F2N3O
Molecular Weight418.32 g/mol
Exact Mass417.12
IUPAC Name2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1.Cl.Cl
InChIInChI=1S/C19H21F2N3O.2ClH/c1-24-9-7-14(8-10-24)22-15-3-2-4-16(12-15)23-19(25)17-11-13(20)5-6-18(17)21;;/h2-6,11-12,14,22H,7-10H2,1H3,(H,23,25);2*1H
InChIKeyYGZYRJHLCCGMHP-UHFFFAOYSA-N
XLogP4.57
TPSA44.37 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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The IUPAC name of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (CID 141257396) is 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is CN1CCC(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1.Cl.Cl.
What is the InChIKey of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The InChIKey is YGZYRJHLCCGMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O.2ClH/c1-24-9-7-14(8-10-24)22-15-3-2-4-16(12-15)23-19(25)17-11-13(20)5-6-18(17)21;;/h2-6,11-12,14,22H,7-10H2,1H3,(H,23,25);2*1H.
What are the key properties of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride has a molecular weight of 418.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 141257396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).