2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride

C22H27ClF2N2O2 — CID 142514214

IUPAC2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)CN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H26F2N2O2.ClH/c1-14(2)11-26-21(27)12-25-20-10-17(20)18-8-16(23)9-19(24)22(18)28-13-15-6-4-3-5-7-15;/h3-9,14,17,20,25H,10-13H2,1-2H3,(H,26,27);1H/t17-,20+;/m0./s1
InChIKeyMTVZNONTYSUHLU-YFUYRHFLSA-N
MW424.92 g/mol
LogP4.18
Rot. Bonds9

About 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride

2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride (PubChem CID 142514214) has the molecular formula C22H27ClF2N2O2 and a molecular weight of 424.92 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride
PubChem CID142514214
Molecular FormulaC22H27ClF2N2O2
Molecular Weight424.92 g/mol
Exact Mass424.17
IUPAC Name2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)CN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H26F2N2O2.ClH/c1-14(2)11-26-21(27)12-25-20-10-17(20)18-8-16(23)9-19(24)22(18)28-13-15-6-4-3-5-7-15;/h3-9,14,17,20,25H,10-13H2,1-2H3,(H,26,27);1H/t17-,20+;/m0./s1
InChIKeyMTVZNONTYSUHLU-YFUYRHFLSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.92
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride with MolForge

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Related Compounds

2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-pyrrolidin-1-ylethanone
CID 137401925
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 137402199
2-[[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 162611121
trans-(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)-N-(1H-indol-7-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 142514226
N-[2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
CID 137401937
N-[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]-4-morpholin-4-ylcyclohexan-1-amine
CID 142514182
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
1,5-difluoro-3-[(1S,2S)-2-methylcyclopropyl]-2-phenylmethoxybenzene;1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene;(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine;1-[(3R)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(3S)-3-methylpyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;1-[(2-phenylcyclopropyl)amino]-3-[(3S)-pyrrolidin-3-yl]propan-2-one;1-[(2-phenylcyclopropyl)amino]-3-[(3R)-pyrrolidin-3-yl]propan-2-one
CID 162163799
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
2-[2-[[3-(aminomethyl)phenyl]methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
CID 71463358
3-[3-[(1S,2R)-2-[(2-amino-2-oxoethyl)amino]cyclopropyl]-2-phenylmethoxyphenyl]benzamide
CID 67115928
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride (CID 142514214) is 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride is CC(C)CNC(=O)CN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1.Cl.
What is the InChIKey of 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride?
The InChIKey is MTVZNONTYSUHLU-YFUYRHFLSA-N. The full InChI is InChI=1S/C22H26F2N2O2.ClH/c1-14(2)11-26-21(27)12-25-20-10-17(20)18-8-16(23)9-19(24)22(18)28-13-15-6-4-3-5-7-15;/h3-9,14,17,20,25H,10-13H2,1-2H3,(H,26,27);1H/t17-,20+;/m0./s1.
What are the key properties of 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride?
2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride has a molecular weight of 424.92 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-N-(2-methylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 142514214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).