2-amino-4-(fluoromethoxy)benzamide

C8H9FN2O2 — CID 91219104

IUPAC2-amino-4-(fluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OCF)cc1N
InChIInChI=1S/C8H9FN2O2/c9-4-13-5-1-2-6(8(11)12)7(10)3-5/h1-3H,4,10H2,(H2,11,12)
InChIKeyXYYIVABQAMTEDG-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.67
Rot. Bonds3

About 2-amino-4-(fluoromethoxy)benzamide

2-amino-4-(fluoromethoxy)benzamide (PubChem CID 91219104) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-amino-4-(fluoromethoxy)benzamide.

Molecular Properties

Compound Name2-amino-4-(fluoromethoxy)benzamide
PubChem CID91219104
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-amino-4-(fluoromethoxy)benzamide
SMILESNC(=O)c1ccc(OCF)cc1N
InChIInChI=1S/C8H9FN2O2/c9-4-13-5-1-2-6(8(11)12)7(10)3-5/h1-3H,4,10H2,(H2,11,12)
InChIKeyXYYIVABQAMTEDG-UHFFFAOYSA-N
XLogP0.67
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.67
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

2-amino-4-(3-oxopropoxy)benzamide
CID 142889118
2,4-diethoxybenzamide
CID 17145726
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
2-amino-5-(3-hydroxypropoxy)benzamide
CID 61307251
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
2-amino-4-(bromomethyl)benzamide
CID 91583804
3-amino-4-(fluoromethoxy)benzamide
CID 90933314
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
CID 173066135

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(fluoromethoxy)benzamide?
The IUPAC name of 2-amino-4-(fluoromethoxy)benzamide (CID 91219104) is 2-amino-4-(fluoromethoxy)benzamide.
What is the SMILES notation for 2-amino-4-(fluoromethoxy)benzamide?
The canonical SMILES for 2-amino-4-(fluoromethoxy)benzamide is NC(=O)c1ccc(OCF)cc1N.
What is the InChIKey of 2-amino-4-(fluoromethoxy)benzamide?
The InChIKey is XYYIVABQAMTEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-4-13-5-1-2-6(8(11)12)7(10)3-5/h1-3H,4,10H2,(H2,11,12).
What are the key properties of 2-amino-4-(fluoromethoxy)benzamide?
2-amino-4-(fluoromethoxy)benzamide has a molecular weight of 184.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(fluoromethoxy)benzamide is sourced from PubChem (CID 91219104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).