3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C12H17FN2O2 — CID 61109693

IUPAC3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O2/c1-8(7-17-3)15(2)12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,7,14H2,1-3H3
InChIKeyRPDBZKCFTILPNU-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide

3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 61109693) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID61109693
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O2/c1-8(7-17-3)15(2)12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,7,14H2,1-3H3
InChIKeyRPDBZKCFTILPNU-UHFFFAOYSA-N
XLogP1.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.51
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

3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 55135434
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
4-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 54946736
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
4-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)benzamide
CID 62236816
N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119582717

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 61109693) is 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is RPDBZKCFTILPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(7-17-3)15(2)12(16)9-4-5-10(13)11(14)6-9/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 61109693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).