2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide

C12H14F2N2O2 — CID 82727285

IUPAC2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCC1OCCC1Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-6-10(2-3-18-6)16-11-4-7(12(15)17)8(13)5-9(11)14/h4-6,10,16H,2-3H2,1H3,(H2,15,17)
InChIKeyNUKWRSAFLMQHNP-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.65
Rot. Bonds3

About 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide

2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide (PubChem CID 82727285) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
PubChem CID82727285
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCC1OCCC1Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c1-6-10(2-3-18-6)16-11-4-7(12(15)17)8(13)5-9(11)14/h4-6,10,16H,2-3H2,1H3,(H2,15,17)
InChIKeyNUKWRSAFLMQHNP-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761802
5-[(2,5-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761998
2,4-difluoro-5-[(2-methylthian-3-yl)amino]benzamide
CID 79956737
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727685
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
4-chloro-2-[(2-methyloxolan-3-yl)amino]benzenecarbothioamide
CID 82729339
2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
CID 82727725
2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid
CID 82736541
2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
CID 79941342

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide (CID 82727285) is 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide is CC1OCCC1Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide?
The InChIKey is NUKWRSAFLMQHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-6-10(2-3-18-6)16-11-4-7(12(15)17)8(13)5-9(11)14/h4-6,10,16H,2-3H2,1H3,(H2,15,17).
What are the key properties of 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide?
2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide has a molecular weight of 256.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide is sourced from PubChem (CID 82727285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).