N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide

C12H13F3N2O3 — CID 104864887

IUPACN-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCC(F)(F)CO
InChIInChI=1S/C12H13F3N2O3/c13-9-4-2-1-3-8(9)11(20)16-5-10(19)17-6-12(14,15)7-18/h1-4,18H,5-7H2,(H,16,20)(H,17,19)
InChIKeyDGCMOMKVUKSLHI-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.30
Rot. Bonds6

About N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 104864887) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID104864887
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCC(F)(F)CO
InChIInChI=1S/C12H13F3N2O3/c13-9-4-2-1-3-8(9)11(20)16-5-10(19)17-6-12(14,15)7-18/h1-4,18H,5-7H2,(H,16,20)(H,17,19)
InChIKeyDGCMOMKVUKSLHI-UHFFFAOYSA-N
XLogP0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 65110344
2-fluoro-N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62517227
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-fluoro-N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]benzamide
CID 103711880
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide (CID 104864887) is N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)NCC(F)(F)CO.
What is the InChIKey of N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is DGCMOMKVUKSLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-9-4-2-1-3-8(9)11(20)16-5-10(19)17-6-12(14,15)7-18/h1-4,18H,5-7H2,(H,16,20)(H,17,19).
What are the key properties of N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 290.24 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 104864887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).