2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide

C20H22F2N2O2 — CID 142957017

IUPAC2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC3CCN(C)CC3)c2F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c1-13-6-7-15(16(21)12-13)20(25)23-17-4-3-5-18(19(17)22)26-14-8-10-24(2)11-9-14/h3-7,12,14H,8-11H2,1-2H3,(H,23,25)
InChIKeyIPPVCMIYOQEPQO-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.00
Rot. Bonds4

About 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide

2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide (PubChem CID 142957017) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide
PubChem CID142957017
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OC3CCN(C)CC3)c2F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c1-13-6-7-15(16(21)12-13)20(25)23-17-4-3-5-18(19(17)22)26-14-8-10-24(2)11-9-14/h3-7,12,14H,8-11H2,1-2H3,(H,23,25)
InChIKeyIPPVCMIYOQEPQO-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 150407559
methyl 5-fluoro-2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyrrolidin-1-ylbenzoyl]amino]benzoate
CID 68534920
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771
CID 88581631
CID 88581631
N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62509085
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 62709432

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide (CID 142957017) is 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(OC3CCN(C)CC3)c2F)c(F)c1.
What is the InChIKey of 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide?
The InChIKey is IPPVCMIYOQEPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13-6-7-15(16(21)12-13)20(25)23-17-4-3-5-18(19(17)22)26-14-8-10-24(2)11-9-14/h3-7,12,14H,8-11H2,1-2H3,(H,23,25).
What are the key properties of 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide?
2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide has a molecular weight of 360.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 142957017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).