2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide

C15H21FN2O3 — CID 61247074

IUPAC2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)CC(CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-10(2)7-11(9-19)18-14(20)8-17-15(21)12-5-3-4-6-13(12)16/h3-6,10-11,19H,7-9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyWIQUNHMGCZTGOA-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.08
Rot. Bonds7

About 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 61247074) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID61247074
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)CC(CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-10(2)7-11(9-19)18-14(20)8-17-15(21)12-5-3-4-6-13(12)16/h3-6,10-11,19H,7-9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyWIQUNHMGCZTGOA-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61247337
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 42959561
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide
CID 46990558
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 18160814
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide (CID 61247074) is 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide is CC(C)CC(CO)NC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is WIQUNHMGCZTGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(2)7-11(9-19)18-14(20)8-17-15(21)12-5-3-4-6-13(12)16/h3-6,10-11,19H,7-9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 296.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 61247074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).