2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide

C16H22F2N2O3 — CID 110004153

IUPAC2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)CC(CO)NC(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O3/c1-16(2,3)7-11(9-21)20-14(22)8-19-15(23)12-5-4-10(17)6-13(12)18/h4-6,11,21H,7-9H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyLEFWRFBASLHBSB-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.61
Rot. Bonds6

About 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 110004153) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID110004153
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)CC(CO)NC(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O3/c1-16(2,3)7-11(9-21)20-14(22)8-19-15(23)12-5-4-10(17)6-13(12)18/h4-6,11,21H,7-9H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyLEFWRFBASLHBSB-UHFFFAOYSA-N
XLogP1.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 24594478
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 51192153
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
2,4-difluoro-N-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 24668133
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide (CID 110004153) is 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide is CC(C)(C)CC(CO)NC(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is LEFWRFBASLHBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-16(2,3)7-11(9-21)20-14(22)8-19-15(23)12-5-4-10(17)6-13(12)18/h4-6,11,21H,7-9H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 328.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[(1-hydroxy-4,4-dimethylpentan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110004153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).