2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide

C13H18FNO3 — CID 75498984

IUPAC2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](CO)C(C)C)c1F
InChIInChI=1S/C13H18FNO3/c1-8(2)10(7-16)15-13(17)9-5-4-6-11(18-3)12(9)14/h4-6,8,10,16H,7H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyNVGNSDPOHOTADR-SNVBAGLBSA-N
MW255.29 g/mol
LogP1.58
Rot. Bonds5

About 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide

2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide (PubChem CID 75498984) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide
PubChem CID75498984
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](CO)C(C)C)c1F
InChIInChI=1S/C13H18FNO3/c1-8(2)10(7-16)15-13(17)9-5-4-6-11(18-3)12(9)14/h4-6,8,10,16H,7H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyNVGNSDPOHOTADR-SNVBAGLBSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
CID 79247786
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
CID 79252526
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
CID 79247451
2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide (CID 75498984) is 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@H](CO)C(C)C)c1F.
What is the InChIKey of 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide?
The InChIKey is NVGNSDPOHOTADR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-8(2)10(7-16)15-13(17)9-5-4-6-11(18-3)12(9)14/h4-6,8,10,16H,7H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide?
2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 75498984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).