cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide

C27H33F3N2O2 — CID 144638888

IUPACcyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide
SMILESCCc1cc(F)cc(NC(=O)c2cc(F)ccc2F)c1C.O=C(C1CCCC1)N1CCCCC1
InChIInChI=1S/C16H14F3NO.C11H19NO/c1-3-10-6-12(18)8-15(9(10)2)20-16(21)13-7-11(17)4-5-14(13)19;13-11(10-6-2-3-7-10)12-8-4-1-5-9-12/h4-8H,3H2,1-2H3,(H,20,21);10H,1-9H2
InChIKeyUMABOOFNOJLNJU-UHFFFAOYSA-N
MW474.57 g/mol
LogP6.42
Rot. Bonds4

About cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide

cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide (PubChem CID 144638888) has the molecular formula C27H33F3N2O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Namecyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide
PubChem CID144638888
Molecular FormulaC27H33F3N2O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Namecyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide
SMILESCCc1cc(F)cc(NC(=O)c2cc(F)ccc2F)c1C.O=C(C1CCCC1)N1CCCCC1
InChIInChI=1S/C16H14F3NO.C11H19NO/c1-3-10-6-12(18)8-15(9(10)2)20-16(21)13-7-11(17)4-5-14(13)19;13-11(10-6-2-3-7-10)12-8-4-1-5-9-12/h4-8H,3H2,1-2H3,(H,20,21);10H,1-9H2
InChIKeyUMABOOFNOJLNJU-UHFFFAOYSA-N
XLogP6.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 130451217
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-5-fluoro-2-methylbenzamide
CID 118452397
3-cyano-N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluorobenzamide
CID 126712151
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
N-[3-[[4-(1-cyclopentylethenyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluoro-2-methylbenzamide
CID 126712054
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone
CID 110366873
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-(2-phosphanylphenyl)propanamide
CID 130450779
5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide
CID 155228042
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
3-chloro-N-[3-[[4-(1-cyclopentylethenyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 126712041

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide?
The IUPAC name of cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide (CID 144638888) is cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide?
The canonical SMILES for cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide is CCc1cc(F)cc(NC(=O)c2cc(F)ccc2F)c1C.O=C(C1CCCC1)N1CCCCC1.
What is the InChIKey of cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide?
The InChIKey is UMABOOFNOJLNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO.C11H19NO/c1-3-10-6-12(18)8-15(9(10)2)20-16(21)13-7-11(17)4-5-14(13)19;13-11(10-6-2-3-7-10)12-8-4-1-5-9-12/h4-8H,3H2,1-2H3,(H,20,21);10H,1-9H2.
What are the key properties of cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide?
cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide has a molecular weight of 474.57 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 144638888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).