1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide

C26H37F2N3O2 — CID 142242318

IUPAC1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide
SMILESCCc1cccc(CNCC(O)CNC(=O)CC2CCCCN2)c1.Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H31N3O2.C7H6F2/c1-2-15-6-5-7-16(10-15)12-20-13-18(23)14-22-19(24)11-17-8-3-4-9-21-17;1-5-2-6(8)4-7(9)3-5/h5-7,10,17-18,20-21,23H,2-4,8-9,11-14H2,1H3,(H,22,24);2-4H,1H3
InChIKeyNTNNIYLKSJKHFB-UHFFFAOYSA-N
MW461.60 g/mol
LogP3.62
Rot. Bonds9

About 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide

1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide (PubChem CID 142242318) has the molecular formula C26H37F2N3O2 and a molecular weight of 461.60 g/mol. Its IUPAC name is 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide.

Molecular Properties

Compound Name1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide
PubChem CID142242318
Molecular FormulaC26H37F2N3O2
Molecular Weight461.60 g/mol
Exact Mass461.29
IUPAC Name1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide
SMILESCCc1cccc(CNCC(O)CNC(=O)CC2CCCCN2)c1.Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H31N3O2.C7H6F2/c1-2-15-6-5-7-16(10-15)12-20-13-18(23)14-22-19(24)11-17-8-3-4-9-21-17;1-5-2-6(8)4-7(9)3-5/h5-7,10,17-18,20-21,23H,2-4,8-9,11-14H2,1H3,(H,22,24);2-4H,1H3
InChIKeyNTNNIYLKSJKHFB-UHFFFAOYSA-N
XLogP3.62
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-(2-nitrosophenyl)acetamide
CID 142242238
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide
CID 142242625
1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]quinoline-4-carboxamide
CID 142241779
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862577
N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
CID 143196331
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3,5-dimethylbenzamide
CID 159245492
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide?
The IUPAC name of 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide (CID 142242318) is 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide.
What is the SMILES notation for 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide?
The canonical SMILES for 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide is CCc1cccc(CNCC(O)CNC(=O)CC2CCCCN2)c1.Cc1cc(F)cc(F)c1.
What is the InChIKey of 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide?
The InChIKey is NTNNIYLKSJKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.C7H6F2/c1-2-15-6-5-7-16(10-15)12-20-13-18(23)14-22-19(24)11-17-8-3-4-9-21-17;1-5-2-6(8)4-7(9)3-5/h5-7,10,17-18,20-21,23H,2-4,8-9,11-14H2,1H3,(H,22,24);2-4H,1H3.
What are the key properties of 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide?
1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide has a molecular weight of 461.60 g/mol, XLogP of 3.62, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide is sourced from PubChem (CID 142242318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).