4-amino-2-fluoro-5-methoxy-N-methylbenzamide

C9H11FN2O2 — CID 89121907

IUPAC4-amino-2-fluoro-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)c(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-12-9(13)5-3-8(14-2)7(11)4-6(5)10/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyGXVLBWLORXEFLR-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.78
Rot. Bonds2

About 4-amino-2-fluoro-5-methoxy-N-methylbenzamide

4-amino-2-fluoro-5-methoxy-N-methylbenzamide (PubChem CID 89121907) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-amino-2-fluoro-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-5-methoxy-N-methylbenzamide
PubChem CID89121907
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name4-amino-2-fluoro-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)c(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-12-9(13)5-3-8(14-2)7(11)4-6(5)10/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyGXVLBWLORXEFLR-UHFFFAOYSA-N
XLogP0.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065
1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
CID 156712123
4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
CID 89192526
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
1-(4-amino-2-fluoro-5-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 107259743
2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
CID 119382400
1-(5-amino-2-fluoro-4-methoxyphenyl)-2-bromoethanone
CID 171018288
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-5-methoxy-N-methylbenzamide?
The IUPAC name of 4-amino-2-fluoro-5-methoxy-N-methylbenzamide (CID 89121907) is 4-amino-2-fluoro-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-fluoro-5-methoxy-N-methylbenzamide?
The canonical SMILES for 4-amino-2-fluoro-5-methoxy-N-methylbenzamide is CNC(=O)c1cc(OC)c(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-5-methoxy-N-methylbenzamide?
The InChIKey is GXVLBWLORXEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-12-9(13)5-3-8(14-2)7(11)4-6(5)10/h3-4H,11H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-2-fluoro-5-methoxy-N-methylbenzamide?
4-amino-2-fluoro-5-methoxy-N-methylbenzamide has a molecular weight of 198.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 89121907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).