2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C12H16F2N2O2 — CID 55135434

IUPAC2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C12H16F2N2O2/c1-7(6-18-3)16(2)12(17)8-4-9(13)10(14)5-11(8)15/h4-5,7H,6,15H2,1-3H3
InChIKeyWUBUWGASARFVSS-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide

2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 55135434) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID55135434
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C12H16F2N2O2/c1-7(6-18-3)16(2)12(17)8-4-9(13)10(14)5-11(8)15/h4-5,7H,6,15H2,1-3H3
InChIKeyWUBUWGASARFVSS-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
CID 61109501
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 113224185
N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
CID 119583838
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
2-bromo-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 103995696
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 55135434) is 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is WUBUWGASARFVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(6-18-3)16(2)12(17)8-4-9(13)10(14)5-11(8)15/h4-5,7H,6,15H2,1-3H3.
What are the key properties of 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 258.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 55135434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).