N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide

C12H16F2N2O3 — CID 106180569

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCOCC(CN)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O3/c1-18-7-8(6-15)16-11(17)9-4-2-3-5-10(9)19-12(13)14/h2-5,8,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyRJIIPFQINHKWIL-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.99
Rot. Bonds7

About N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide

N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide (PubChem CID 106180569) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
PubChem CID106180569
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
SMILESCOCC(CN)NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C12H16F2N2O3/c1-18-7-8(6-15)16-11(17)9-4-2-3-5-10(9)19-12(13)14/h2-5,8,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyRJIIPFQINHKWIL-UHFFFAOYSA-N
XLogP0.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
CID 106180246
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(1-amino-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 63193542
2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
CID 64991633
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide (CID 106180569) is N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide is COCC(CN)NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide?
The InChIKey is RJIIPFQINHKWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-18-7-8(6-15)16-11(17)9-4-2-3-5-10(9)19-12(13)14/h2-5,8,12H,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide?
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide has a molecular weight of 274.27 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 106180569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).