N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide

C12H16F2N2O3 — CID 106180246

IUPACN-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
SMILESCOCC(CN)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O3/c1-18-7-9(6-15)16-11(17)8-2-4-10(5-3-8)19-12(13)14/h2-5,9,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyYVHTXJFSWTUQIZ-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.99
Rot. Bonds7

About N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide

N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide (PubChem CID 106180246) 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)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
PubChem CID106180246
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
SMILESCOCC(CN)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O3/c1-18-7-9(6-15)16-11(17)8-2-4-10(5-3-8)19-12(13)14/h2-5,9,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyYVHTXJFSWTUQIZ-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

N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 8018736
N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
CID 106180328
4-(difluoromethoxy)-N-hex-5-yn-3-ylbenzamide
CID 113241242
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
methyl (2S)-2-(4-bromophenyl)-2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 95154759

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide (CID 106180246) is N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide is COCC(CN)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide?
The InChIKey is YVHTXJFSWTUQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-18-7-9(6-15)16-11(17)8-2-4-10(5-3-8)19-12(13)14/h2-5,9,12H,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide?
N-(1-amino-3-methoxypropan-2-yl)-4-(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)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 106180246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).