N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide

C12H16F2N2O2 — CID 120505995

IUPACN-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
SMILESC[C@@H](CN)NC(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-8(7-15)16-11(17)6-9-4-2-3-5-10(9)18-12(13)14/h2-5,8,12H,6-7,15H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyGHEILRSSDCDKAW-QMMMGPOBSA-N
MW258.27 g/mol
LogP1.29
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide

N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 120505995) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID120505995
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
SMILESC[C@@H](CN)NC(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O2/c1-8(7-15)16-11(17)6-9-4-2-3-5-10(9)18-12(13)14/h2-5,8,12H,6-7,15H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyGHEILRSSDCDKAW-QMMMGPOBSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119225812
N-(1-aminohexan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119666599
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide
CID 119607084
(2S)-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119361873
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 60956611
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
2-cyclopropyl-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]acetic acid
CID 119214054
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide (CID 120505995) is N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide is C[C@@H](CN)NC(=O)Cc1ccccc1OC(F)F.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is GHEILRSSDCDKAW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-8(7-15)16-11(17)6-9-4-2-3-5-10(9)18-12(13)14/h2-5,8,12H,6-7,15H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 258.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 120505995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).