2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide

C17H17FN2O3 — CID 51606040

IUPAC2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-11(19-17(22)12-7-3-4-8-13(12)18)16(21)20-14-9-5-6-10-15(14)23-2/h3-11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyMFCSKJYSDGHBBN-LLVKDONJSA-N
MW316.33 g/mol
LogP2.59
Rot. Bonds5

About 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide

2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 51606040) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
PubChem CID51606040
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C17H17FN2O3/c1-11(19-17(22)12-7-3-4-8-13(12)18)16(21)20-14-9-5-6-10-15(14)23-2/h3-11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyMFCSKJYSDGHBBN-LLVKDONJSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
CID 92664485
N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 134351040
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
2-fluoro-N-[(2R)-1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2521734
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
CID 134351169
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
N-[(2S)-1-(4,5-dimethoxy-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 7612295

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide (CID 51606040) is 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide is COc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is MFCSKJYSDGHBBN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(19-17(22)12-7-3-4-8-13(12)18)16(21)20-14-9-5-6-10-15(14)23-2/h3-11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide?
2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 51606040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).