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

C12H17FN2O2 — CID 63110280

IUPAC2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2/c1-8(7-17-3)15(2)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,7,14H2,1-3H3
InChIKeyBPRFCMIXISOOQO-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.51
Rot. Bonds4

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

2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 63110280) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID63110280
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2/c1-8(7-17-3)15(2)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,7,14H2,1-3H3
InChIKeyBPRFCMIXISOOQO-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

2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 55135434
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82950859
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61455637
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
CID 61109501
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194
1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one
CID 66999008
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113346483

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 63110280) is 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is BPRFCMIXISOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(7-17-3)15(2)12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
2-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 2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 63110280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).