N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide

C15H18F2N2O5 — CID 91780813

IUPACN-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N[C@@H]1CCOC[C@H]1OCC(N)=O
InChIInChI=1S/C15H18F2N2O5/c1-22-10-3-2-8(16)14(17)13(10)15(21)19-9-4-5-23-6-11(9)24-7-12(18)20/h2-3,9,11H,4-7H2,1H3,(H2,18,20)(H,19,21)/t9-,11-/m1/s1
InChIKeyNBKJPVZCJWSVDD-MWLCHTKSSA-N
MW344.31 g/mol
LogP0.36
Rot. Bonds6

About N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide

N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide (PubChem CID 91780813) has the molecular formula C15H18F2N2O5 and a molecular weight of 344.31 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide
PubChem CID91780813
Molecular FormulaC15H18F2N2O5
Molecular Weight344.31 g/mol
Exact Mass344.12
IUPAC NameN-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N[C@@H]1CCOC[C@H]1OCC(N)=O
InChIInChI=1S/C15H18F2N2O5/c1-22-10-3-2-8(16)14(17)13(10)15(21)19-9-4-5-23-6-11(9)24-7-12(18)20/h2-3,9,11H,4-7H2,1H3,(H2,18,20)(H,19,21)/t9-,11-/m1/s1
InChIKeyNBKJPVZCJWSVDD-MWLCHTKSSA-N
XLogP0.36
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
CID 91767703
2-[(3S,4R)-4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91761890
3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(3R,4S)-3-methoxyoxan-4-yl]-1,2-oxazole-4-carboxamide
CID 135116362
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 91780574
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-1-benzoxepine-4-carboxamide
CID 91761985
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-3-(2-methoxyphenyl)propanamide
CID 91765241
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
CID 133264832
4-fluoro-3-hydroxy-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91770821
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide?
The IUPAC name of N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide (CID 91780813) is N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide?
The canonical SMILES for N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide is COc1ccc(F)c(F)c1C(=O)N[C@@H]1CCOC[C@H]1OCC(N)=O.
What is the InChIKey of N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide?
The InChIKey is NBKJPVZCJWSVDD-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H18F2N2O5/c1-22-10-3-2-8(16)14(17)13(10)15(21)19-9-4-5-23-6-11(9)24-7-12(18)20/h2-3,9,11H,4-7H2,1H3,(H2,18,20)(H,19,21)/t9-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide?
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide has a molecular weight of 344.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide is sourced from PubChem (CID 91780813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).