2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride

C19H21ClF2N2O2 — CID 69075859

IUPAC2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
SMILESCN1CCC(Oc2cccc(NC(=O)c3ccc(F)cc3F)c2)CC1.Cl
InChIInChI=1S/C19H20F2N2O2.ClH/c1-23-9-7-15(8-10-23)25-16-4-2-3-14(12-16)22-19(24)17-6-5-13(20)11-18(17)21;/h2-6,11-12,15H,7-10H2,1H3,(H,22,24);1H
InChIKeyLVXQBCFMPXAJLJ-UHFFFAOYSA-N
MW382.84 g/mol
LogP4.11
Rot. Bonds4

About 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride

2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride (PubChem CID 69075859) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
PubChem CID69075859
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
SMILESCN1CCC(Oc2cccc(NC(=O)c3ccc(F)cc3F)c2)CC1.Cl
InChIInChI=1S/C19H20F2N2O2.ClH/c1-23-9-7-15(8-10-23)25-16-4-2-3-14(12-16)22-19(24)17-6-5-13(20)11-18(17)21;/h2-6,11-12,15H,7-10H2,1H3,(H,22,24);1H
InChIKeyLVXQBCFMPXAJLJ-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
CID 69071575
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 141257396
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide
CID 142957017
2-chloro-N-[3-(1,3-dimethylpiperidin-4-yl)oxyphenyl]-4-fluorobenzamide;hydron;chloride
CID 69074598
2,4-difluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597780
CID 88581631
CID 88581631
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride?
The IUPAC name of 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride (CID 69075859) is 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride.
What is the SMILES notation for 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride?
The canonical SMILES for 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride is CN1CCC(Oc2cccc(NC(=O)c3ccc(F)cc3F)c2)CC1.Cl.
What is the InChIKey of 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride?
The InChIKey is LVXQBCFMPXAJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2.ClH/c1-23-9-7-15(8-10-23)25-16-4-2-3-14(12-16)22-19(24)17-6-5-13(20)11-18(17)21;/h2-6,11-12,15H,7-10H2,1H3,(H,22,24);1H.
What are the key properties of 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride?
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride is sourced from PubChem (CID 69075859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).