N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide

C16H22FNO5 — CID 155996183

IUPACN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)c1F
InChIInChI=1S/C16H22FNO5/c1-20-12-6-4-5-11(14(12)17)16(19)18-7-10-8-23-9-13(21-2)15(10)22-3/h4-6,10,13,15H,7-9H2,1-3H3,(H,18,19)/t10-,13-,15+/m1/s1
InChIKeyBAIUKZKYAXEDJS-YVLXSGLVSA-N
MW327.35 g/mol
LogP1.24
Rot. Bonds6

About N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide

N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide (PubChem CID 155996183) has the molecular formula C16H22FNO5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide
PubChem CID155996183
Molecular FormulaC16H22FNO5
Molecular Weight327.35 g/mol
Exact Mass327.15
IUPAC NameN-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)c1F
InChIInChI=1S/C16H22FNO5/c1-20-12-6-4-5-11(14(12)17)16(19)18-7-10-8-23-9-13(21-2)15(10)22-3/h4-6,10,13,15H,7-9H2,1-3H3,(H,18,19)/t10-,13-,15+/m1/s1
InChIKeyBAIUKZKYAXEDJS-YVLXSGLVSA-N
XLogP1.24
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 175655125
(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116587559
2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 165427835
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide
CID 92757198
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919
2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
CID 61380888
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide?
The IUPAC name of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide (CID 155996183) is N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide is COc1cccc(C(=O)NC[C@@H]2COC[C@@H](OC)[C@H]2OC)c1F.
What is the InChIKey of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide?
The InChIKey is BAIUKZKYAXEDJS-YVLXSGLVSA-N. The full InChI is InChI=1S/C16H22FNO5/c1-20-12-6-4-5-11(14(12)17)16(19)18-7-10-8-23-9-13(21-2)15(10)22-3/h4-6,10,13,15H,7-9H2,1-3H3,(H,18,19)/t10-,13-,15+/m1/s1.
What are the key properties of N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide?
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide has a molecular weight of 327.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-fluoro-3-methoxybenzamide is sourced from PubChem (CID 155996183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).